Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 5/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 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 | |
|---|---|---|---|---|
| SCHEMBL1949971 | 1.00 | DRD2 (0.41) | DRD2KDM1AHSD11B1MBTD1PNMT | |
| SCHEMBL1868981 | 1.00 | DRD2 (0.41) | DRD2KDM1AHSD11B1MBTD1PNMT | |
| SCHEMBL17808120 | 0.90 | KDM1A (0.41) | KDM1APNMTADRA2AADRA2BADRA2C | |
| SCHEMBL1952645 | 0.88 | OPRM1 (0.39) | DRD2HSD11B1MBTD1PNMTADRA2A | |
| SCHEMBL1866797 | 0.88 | OPRM1 (0.39) | DRD2HSD11B1MBTD1PNMTADRA2A | |
| SCHEMBL1951305 | 0.88 | OPRM1 (0.39) | DRD2HSD11B1MBTD1PNMTADRA2A | |
| SCHEMBL1948829 | 0.81 | DRD2 (0.48) | DRD2HSD11B1 | |
| SCHEMBL9964031 | 0.81 | DRD2 (0.48) | DRD2HSD11B1 | |
| SCHEMBL1950741 | 0.81 | DRD2 (0.41) | DRD2HSD11B1 | |
| SCHEMBL1950742 | 0.81 | DRD2 (0.41) | DRD2HSD11B1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2496559-B1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2018-01-10 | — | — | EP | disclosed |
| US-9663470-B2 | Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS, INC. (US) | 2017-05-30 | — | — | US | disclosed |
| US-20160272590-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-09-22 | — | — | US | disclosed |
| US-9328072-B2 | Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS, INC. (US) | 2016-05-03 | — | — | US | disclosed |
| US-9120769-B2 | Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) | 2015-09-01 | — | — | US | disclosed |
| US-20140249174-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) | 2014-09-04 | — | — | US | disclosed |
| US-20140031544-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-30 | — | — | US | disclosed |
| US-8497281-B2 | Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS, INC. (US) | 2013-07-30 | — | — | US | disclosed |
| US-20120157488-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-21 | — | — | US | disclosed |
| US-20110136800-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | Boehringer Ingelheim International GmbH Vitae Pharmaceuticals | 2011-06-09 | — | — | 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 (5 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-20140031544-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | HSD17B1, HSD3B1, HSD11B1 | DRD2 322/4885KDM1A 716/4885HSD11B1 3/4885 |
| US-20140249174-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | HSD17B1, HSD3B1, HSD11B1 | DRD2 322/4885KDM1A 716/4885HSD11B1 3/4885 |
| US-20120157488-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | HSD17B1, HSD3B1, HSD11B1 | DRD2 322/4885KDM1A 716/4885HSD11B1 3/4885 |
| US-20110136800-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | HSD17B1, HSD3B1, HSD11B1 | DRD2 322/4885KDM1A 716/4885HSD11B1 3/4885 |
| US-20160272590-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | HSD17B1, HSD3B1, HSD11B1 | DRD2 322/4885KDM1A 716/4885HSD11B1 3/4885 |
“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.