Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.40 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6644202 | 0.88 | TSHR (0.50) | TSHRMAPK1ALDH1A1CNR2AOC3 | |
| SCHEMBL3029785 | 0.88 | TSHR (0.50) | TSHRMAPK1ALDH1A1CNR2AOC3 | |
| SCHEMBL4747976 | 0.82 | TSHR (0.59) | TSHRMAPK1ALDH1A1CNR2KDM4E | |
| SCHEMBL18117844 | 0.81 | TSHR (0.42) | TSHRMAPK1ALDH1A1CNR2AOC3 | |
| SCHEMBL1754765 | 0.81 | TSHR (0.50) | TSHRMAPK1ALDH1A1CNR2AOC3 | |
| SCHEMBL23784263 | 0.79 | HRH3 (0.50) | TSHRMAPK1ALDH1A1CNR2CALM1 | |
| SCHEMBL14339376 | 0.79 | TSHR (0.41) | TSHRMAPK1ALDH1A1CNR2AOC3 | |
| SCHEMBL102928 | 0.78 | TSHR (0.42) | TSHRMAPK1ALDH1A1CNR2AOC3 | |
| SCHEMBL18030569 | 0.78 | TSHR (0.42) | TSHRMAPK1ALDH1A1CNR2AOC3 | |
| SCHEMBL18597619 | 0.78 | TSHR (0.42) | TSHRMAPK1ALDH1A1CNR2AOC3 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2432783-B1 | MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF | ABBOTT LAB (US) | 2013-05-01 | — | — | EP | disclosed |
| US-8318759-B2 | Pyrrolidine derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-11-27 | — | — | US | disclosed |
| US-8293770-B2 | Pyrrolidine derivatives as NK-3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-10-23 | — | — | US | disclosed |
| US-20120208803-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | BISSANTZ CATERINA (FR) | 2012-08-16 | — | — | US | disclosed |
| US-20120157458-A1 | IMIDAZOTRIAZINONE COMPOUNDS | ENVIVO PHARMACEUTICALS, INC. | 2012-06-21 | — | — | US | disclosed |
| US-8063075-B2 | Pyrrolidine ether derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8022099-B2 | N-benzyl pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-09-20 | — | — | US | disclosed |
| US-20110144081-A1 | PYRROLIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-16 | — | — | US | disclosed |
| US-7893062-B2 | Pyrrolidine derivatives as dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-02-22 | — | — | US | disclosed |
| US-7812021-B2 | Pyrrolidine aryl-ether as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2010-10-12 | — | — | US | disclosed |
| US-20100210659-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-08-19 | — | — | US | disclosed |
| US-20100168088-A1 | PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | US | disclosed |
| US-20100113424-A1 | N-BENZYL PYRROLIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-06 | — | — | US | disclosed |
| US-20090312327-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-17 | — | — | US | disclosed |
| US-20090306043-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2009-12-10 | — | — | US | disclosed |
| US-20090054644-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2009-02-26 | — | — | US | disclosed |
| US-7479504-B2 | Edg receptor agonists | MERCK & CO., INC. (US) | 2009-01-20 | — | — | US | disclosed |
| US-20080275021-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-11-06 | — | — | US | disclosed |
| EP-1506779-A1 | (3-(4-(Pyridin-2-ylamino)-butyryl)-2,3,4,4a,9,9a-hexahydro-1H-3-aza-fluoren-9-yl)-acetic acid derivatives and related tricyclic indanyls as alphaVbeta3 and alphaVbeta5 integrin inhibitors for the treatment of cancer and unstable angina | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-16 | — | — | EP | 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 (10 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-20110144081-A1 | PYRROLIDINE DERIVATIVES | TACR1, OPRL1, SLC6A3 | TSHR 587/4885MAPK1 1849/4885ALDH1A1 747/4885 |
| US-20090306043-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | OPRK1, OPRL1, OPRD1 | TSHR 479/4885MAPK1 2322/4885ALDH1A1 979/4885 |
| US-20080275021-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TAC3, TACR2, TACR1 | TSHR 176/4885MAPK1 1398/4885ALDH1A1 1381/4885 |
| US-20100168088-A1 | PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | OPRK1, OPRL1, OPRD1 | TSHR 1205/4885MAPK1 963/4885ALDH1A1 517/4885 |
| US-20100210659-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | OPRL1, OPRK1, OPRD1 | TSHR 384/4885MAPK1 1479/4885ALDH1A1 956/4885 |
| US-20100113424-A1 | N-BENZYL PYRROLIDINE DERIVATIVES | OPRK1, OPRD1, OPRL1 | TSHR 526/4885MAPK1 1693/4885ALDH1A1 882/4885 |
| US-20090312327-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | TACR2, PRLHR, AVPR2 | TSHR 64/4885MAPK1 1550/4885ALDH1A1 1125/4885 |
| US-20090054644-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | OPRL1, OPRD1, OPRK1 | TSHR 491/4885MAPK1 1481/4885ALDH1A1 972/4885 |
| US-20120157458-A1 | IMIDAZOTRIAZINONE COMPOUNDS | PDE9A, PDE4A, PDE12 | TSHR 2669/4885MAPK1 2805/4885ALDH1A1 504/4885 |
| US-20120208803-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | TACR2, PRLHR, AVPR2 | TSHR 64/4885MAPK1 1550/4885ALDH1A1 1125/4885 |
“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.