Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
| ▸ | OXER1 | Q8TDS5 | 4/20 | 0.37 |
| ▸ | PPARG | P37231 | 3/20 | 0.37 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 3/20 | 0.35 |
| ▸ | F3 | P13726 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6898513 | 1.00 | PTGS1 (0.41) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL17429484 | 0.95 | PTGS1 (0.34) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL6894966 | 0.95 | PTGS1 (0.34) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL12415217 | 0.87 | PTGS1 (0.41) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL6897334 | 0.87 | PTGS1 (0.41) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL12513931 | 0.86 | PTGS1 (0.44) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL6896756 | 0.84 | PTGS1 (0.40) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL22267811 | 0.84 | PTGS1 (0.40) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL22267764 | 0.83 | PTGS1 (0.41) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL12120782 | 0.83 | CTSK (0.34) | CTSK |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10023537-B2 | Heterocyclic compounds for the treatment of neurological and psychological disorders | ALKERMES PHARMA IRELAND LIMITED (IE) | 2018-07-17 | — | — | US | disclosed |
| US-20180162816-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS | JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT | 2018-06-14 | — | — | US | disclosed |
| US-20170015659-A1 | Prodrugs of NH-Acidic Compounds | JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT | 2017-01-19 | — | — | US | disclosed |
| US-20160318869-A1 | Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders | JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT | 2016-11-03 | — | — | US | disclosed |
| US-9102618-B2 | Prodrugs of NH-acidic compounds | ALKERMES PHARMA IRELAND LIMITED (IE) | 2015-08-11 | — | — | US | disclosed |
| US-20140350254-A1 | Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders | ALKERMES PHARMA IRELAND LTD (IE) | 2014-11-27 | — | — | US | disclosed |
| US-8431576-B2 | Heterocyclic compounds for the treatment of neurological and psychological disorders | ALKERMES PHARMA IRELAND LIMITED (IE) | 2013-04-30 | — | — | US | disclosed |
| US-20110275803-A1 | PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS | ALKERMES, INC. (US) | 2011-11-10 | — | — | US | disclosed |
| US-20110166128-A1 | Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders | ALKERMES, INC. (US) | 2011-07-07 | — | — | US | disclosed |
| US-20110166156-A1 | Prodrugs for the Treatment of Schizophrenia and Bipolar Disease | ALKERMES, INC. (US) | 2011-07-07 | — | — | US | disclosed |
| US-20110015156-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS | ALKERMES, INC. | 2011-01-20 | — | — | 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 (9 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-20160318869-A1 | Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders | GABBR1, GABBR2, GABRE | PTGS1 1898/4885ADORA3 3086/4885NR1I2 277/4885 |
| US-20180162816-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS | GABBR1, GABBR2, GABRE | PTGS1 1898/4885ADORA3 3086/4885NR1I2 277/4885 |
| US-10023537-B2 | Heterocyclic compounds for the treatment of neurological and psychological disorders | GABBR1, GABBR2, GABRE | PTGS1 1898/4885ADORA3 3086/4885NR1I2 277/4885 |
| US-20170015659-A1 | Prodrugs of NH-Acidic Compounds | SI, NAAA, NIT2 | PTGS1 1032/4885ADORA3 1660/4885NR1I2 2503/4885 |
| US-20140350254-A1 | Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders | GABBR1, GABBR2, GABRE | PTGS1 1898/4885ADORA3 3086/4885NR1I2 277/4885 |
| US-20110166156-A1 | Prodrugs for the Treatment of Schizophrenia and Bipolar Disease | SLC1A2, BDNF, MAOB | PTGS1 2317/4885ADORA3 1839/4885NR1I2 593/4885 |
| US-20110275803-A1 | PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS | COASY, DHPS, OXA1L | PTGS1 477/4885ADORA3 4497/4885NR1I2 742/4885 |
| US-20110166128-A1 | Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders | HTR5A, HTR2C, HTR2B | PTGS1 1715/4885ADORA3 890/4885NR1I2 241/4885 |
| US-20110015156-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS | GABBR1, GABBR2, GABRE | PTGS1 1898/4885ADORA3 3086/4885NR1I2 277/4885 |
“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.