Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16573736 | 0.81 | PTK2 (0.45) | RAB9ANPC1TP53MAPK1TSHR | |
| SCHEMBL15897081 | 0.81 | RAB9A (0.42) | KDM4EALDH1A1RAB9ANPC1TP53 | |
| SCHEMBL5526276 | 0.80 | ALDH1A1 (0.47) | KDM4EALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL9987096 | 0.79 | OPRL1 (0.49) | KDM4EALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL9989350 | 0.78 | ALDH1A1 (0.39) | KDM4EALDH1A1RAB9ANPC1TP53 | |
| SCHEMBL20898986 | 0.76 | IDO1 (0.53) | ALDH1A1RAB9ANPC1POLBSMN1; SMN2 | |
| SCHEMBL20919672 | 0.76 | RAB9A (0.40) | KDM4EALDH1A1RAB9ANPC1TP53 | |
| SCHEMBL5523044 | 0.75 | DGAT1 (0.48) | KDM4EALDH1A1RAB9ANPC1TP53 | |
| SCHEMBL19538478 | 0.74 | HSD11B1 (0.47) | ALDH1A1RAB9ANPC1POLB | |
| SCHEMBL9936063 | 0.74 | ALDH1A1 (0.44) | KDM4EALDH1A1RAB9ANPC1MEN1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2582698-B1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS INC (US) | 2016-09-14 | — | — | EP | disclosed |
| EP-2582698-B1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS INC (US) | 2016-09-14 | — | — | EP | disclosed |
| US-9090605-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-20150080363-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. | 2015-03-19 | — | — | US | disclosed |
| US-8933072-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-8933072-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-8933072-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-20130244993-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-19 | — | — | US | disclosed |
| US-20130244993-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-19 | — | — | US | disclosed |
| US-20130244993-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-19 | — | — | US | disclosed |
| EP-2582698-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | Vitae Pharmaceuticals, Inc. (US) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011159760-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. (US) | 2011-12-22 | — | — | WO | disclosed |
| WO-2011159760-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. (US) | 2011-12-22 | — | — | WO | 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 (2 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-20130244993-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | CYP11B1, CYP11B2, HSD3B1 | KDM4E 2449/4885ALDH1A1 228/4885RAB9A 4650/4885 |
| US-20150080363-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | CYP11B1, CYP11B2, HSD3B1 | KDM4E 2530/4885ALDH1A1 208/4885RAB9A 4705/4885 |
“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.