Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.70 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.70 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.70 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.70 |
| ▸ | SLC18A2 | Q05940 | 10/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL22612168 | 1.00 | HTR1A (0.70) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL19024411 | 1.00 | HTR1A (0.70) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL22612151 | 1.00 | HTR1A (0.70) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL19024413 | 1.00 | HTR1A (0.70) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL20049853 | 1.00 | HTR1A (0.70) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL22612169 | 1.00 | HTR1A (0.70) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL24520555 | 0.94 | HTR1A (0.63) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL22579550 | 0.93 | HTR1A (0.65) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL20049817 | 0.87 | HTR1A (0.77) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL21706281 | 0.87 | HTR1A (0.77) | HTR1ATBXA2RPTGS1OPRM1KCNH2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| US-10160757-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) | Neuroscrine Biosciences, Inc. (US) | 2018-12-25 | — | — | US | claimed |
| US-20170183346-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) | AGNO PHARMA USA | 2017-06-29 | — | — | US | claimed |
| US-20240239791-A1 | PROCESSES FOR THE SYNTHESIS OF VALBENAZINE | NEUROCRINE BIOSCIENCES, INC. | 2024-07-18 | — | — | US | disclosed |
| 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-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-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-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-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-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-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-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-10160757-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) | Neuroscrine Biosciences, Inc. (US) | 2018-12-25 | — | — | US | disclosed |
| US-20170183346-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) | AGNO PHARMA USA | 2017-06-29 | — | — | US | 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 (11 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 | HTR1A 202/4885TBXA2R 781/4885PTGS1 2439/4885 |
| 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 | HTR1A 202/4885TBXA2R 781/4885PTGS1 2439/4885 |
| US-20170183346-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 | HTR1A 158/4885TBXA2R 1082/4885PTGS1 2269/4885 |
| 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 | HTR1A 202/4885TBXA2R 781/4885PTGS1 2439/4885 |
| US-20240239791-A1 | PROCESSES FOR THE SYNTHESIS OF VALBENAZINE | SLC18A2, SLC18A3, SLC6A3 | HTR1A 237/4885TBXA2R 2254/4885PTGS1 4420/4885 |
| US-10160757-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 | HTR1A 158/4885TBXA2R 1082/4885PTGS1 2269/4885 |
| 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 | HTR1A 202/4885TBXA2R 781/4885PTGS1 2439/4885 |
| 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 | HTR1A 148/4885TBXA2R 1018/4885PTGS1 2493/4885 |
| 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 | HTR1A 148/4885TBXA2R 1018/4885PTGS1 2493/4885 |
| 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 | HTR1A 179/4885TBXA2R 1101/4885PTGS1 2484/4885 |
| 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 | HTR1A 138/4885TBXA2R 914/4885PTGS1 2283/4885 |
“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.