Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | CASR | P41180 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12445112 | 1.00 | CYP3A4 (0.50) | CYP3A4CYP2D6CHRM2HTR1AADRA2A | |
| SCHEMBL12672378 | 1.00 | CYP3A4 (0.50) | CYP3A4CYP2D6CHRM2HTR1AADRA2A | |
| SCHEMBL12417430 | 0.85 | PTGS2 (0.50) | CYP1A2CYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL12654171 | 0.82 | HSD17B10 (0.46) | CYP3A4CYP2D6CHRM2HTR1AADRA2A | |
| SCHEMBL30763462 | 0.80 | SIGMAR1 (0.61) | CYP3A4CYP2D6CHRM2HTR1AADRA2A | |
| SCHEMBL28869351 | 0.80 | CYP3A4 (0.52) | CYP3A4CYP2D6CHRM2HTR1AADRA2A | |
| SCHEMBL2390660 | 0.80 | CYP3A4 (0.52) | CYP3A4CYP2D6CHRM2HTR1AADRA2A | |
| SCHEMBL8437895 | 0.80 | SIGMAR1 (0.61) | CYP3A4CYP2D6CHRM2HTR1AADRA2A | |
| SCHEMBL283979 | 0.80 | SIGMAR1 (0.61) | CYP3A4CYP2D6CHRM2HTR1AADRA2A | |
| SCHEMBL2390659 | 0.80 | CYP3A4 (0.52) | CYP3A4CYP2D6CHRM2HTR1AADRA2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102559792-A | Method for enzymatic resolution of phenylethylamines by using novel acyl donor | UNIV ZHEJIANG | 2012-07-11 | — | — | CN | claimed |
| EP-3394057-B1 | SYNTHETIC METHOD FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]LSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | NEUROCRINE BIOSCIENCES INC (US) | 2022-03-30 | — | — | EP | disclosed |
| US-10919892-B2 | Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-02-16 | — | — | US | disclosed |
| US-10906903-B2 | Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1,-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-02-02 | — | — | US | disclosed |
| US-10906902-B2 | Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1,-a]isoquinolin-2-2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-02-02 | — | — | US | disclosed |
| US-20200347055-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | NEUROCRINE BIOSCIENCES, INC. | 2020-11-05 | — | — | US | disclosed |
| US-20200347057-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | AGNO PHARMA USA | 2020-11-05 | — | — | US | disclosed |
| US-20200347056-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | NEUROCRINE BIOSCIENCES, INC. | 2020-11-05 | — | — | US | disclosed |
| US-20200347054-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | NEUROCRINE BIOSCIENCES, INC. | 2020-11-05 | — | — | US | disclosed |
| US-20200181140-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11bR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11b-HEXAHYDRO-1H-PYRIDO[2,1-a]ISOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | NEUROCRINE BIOSCIENCES, INC. | 2020-06-11 | — | — | US | disclosed |
| US-5981755-A | Tachykinin antagonists | WARNER-LAMBERT COMPANY (US) | 1999-11-09 | — | — | US | disclosed |
| US-5856354-A | RESPIRATORY SYSTEM DISORDERS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS, VISION DEFECTS, ANTIALLERGENS,PAIN, NERVOUS SYSTEM DISORDERS, HEADACHES | WARNER-LAMBERT COMPANY (US) | 1999-01-05 | — | — | US | disclosed |
| CN-1182068-A | Process for separation of mixture of enantiomers | DSM NV (NL) | 1998-05-20 | — | — | CN | disclosed |
| US-5716979-A | NONPEPTIDES, UNIQUE IN ALKYLATION/SUBSTITUTION PATTERN ALONG THEIR BACKBONE, USEFUL FOR TREATING DISORDERS SUCH AS RESPIRATORY, INFLAMMATORY, GASTROINTESTINAL, OPHTHALMIC, ALLERGIES, PAIN, VASCULAR, MIGRANE, ARTHRITIS AND BRAIN | WARNER-LAMBERT COMPANY (US) | 1998-02-10 | — | — | US | disclosed |
| US-5594022-A | CARBAMATES | WARNER-LAMBERT COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| WO-1994004494-A1 | TACHYKININ ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1994-03-03 | — | — | WO | disclosed |
| CN-1011781-B | METHOD FOR PREPARATION OF OLEFIN POLYSULFIDES | INST FRANCAIS DU PETROLE (FR) | 1991-02-27 | — | — | CN | disclosed |
| EP-0295316-A2 | Antitumor amino acid and peptide derivatives of 1,4-bis[ (aminoalkyl and hydroxyaminoalkyl)- amino]-5,8 dihydroxyanthraquinones | AMERICAN CYANAMID COMPANY (US) | 1988-12-21 | — | — | EP | disclosed |
| EP-0257448-A2 | Optically active cyclopropanecarboxamides | NIHON BAYER AGROCHEM K.K. (JP) | 1988-03-02 | — | — | EP | disclosed |
| CN-85104600-A | The product that the preparation method of olefin polysulfide compound obtains and they are as the application of lubricant additive | — | 1986-03-10 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20200347054-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | CYP2S1, CYP26B1, UGT2B7 | CYP3A4 111/4885CYP2D6 11/4885CHRM2 1730/4885 |
| US-20200347055-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | CYP2S1, CYP26B1, UGT2B7 | CYP3A4 111/4885CYP2D6 11/4885CHRM2 1730/4885 |
| US-20200347056-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | CYP2S1, CYP26B1, UGT2B7 | CYP3A4 111/4885CYP2D6 11/4885CHRM2 1730/4885 |
| US-20200347057-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | CYP2S1, CYP26B1, UGT2B7 | CYP3A4 111/4885CYP2D6 11/4885CHRM2 1730/4885 |
| US-10919892-B2 | Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) | CYP2S1, CYP26B1, CYP4B1 | CYP3A4 56/4885CYP2D6 11/4885CHRM2 1511/4885 |
| US-20200181140-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11bR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11b-HEXAHYDRO-1H-PYRIDO[2,1-a]ISOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | CYP2S1, CYP26B1, CYP4B1 | CYP3A4 56/4885CYP2D6 11/4885CHRM2 1511/4885 |
| US-10906903-B2 | Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1,-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) | CYP2S1, CYP26B1, CYP4B1 | CYP3A4 57/4885CYP2D6 10/4885CHRM2 1614/4885 |
| US-10906902-B2 | Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1,-a]isoquinolin-2-2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) | CYP2S1, CYP26B1, CYP4B1 | CYP3A4 53/4885CYP2D6 11/4885CHRM2 1398/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.