Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 5/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1951790 | 1.00 | DRD2 (0.61) | DRD2ADRA1AHSD11B1HTR1AHTR2A | |
| SCHEMBL15139403 | 1.00 | DRD2 (0.61) | DRD2ADRA1AHSD11B1HTR1AHTR2A | |
| SCHEMBL1951789 | 1.00 | DRD2 (0.61) | DRD2ADRA1AHSD11B1HTR1AHTR2A | |
| SCHEMBL1875289 | 0.82 | ADRA1A (0.49) | DRD2ADRA1AHSD11B1HTR1A | |
| SCHEMBL15139399 | 0.82 | ADRA1A (0.49) | DRD2ADRA1AHSD11B1HTR1A | |
| SCHEMBL1874598 | 0.82 | ADRA1A (0.49) | DRD2ADRA1AHSD11B1HTR1A | |
| SCHEMBL1874596 | 0.82 | ADRA1A (0.49) | DRD2ADRA1AHSD11B1HTR1A | |
| SCHEMBL1875287 | 0.82 | ADRA1A (0.49) | DRD2ADRA1AHSD11B1HTR1A | |
| SCHEMBL9963996 | 0.82 | ADRA1A (0.49) | DRD2ADRA1AHSD11B1HTR1A | |
| SCHEMBL9963993 | 0.82 | ADRA1A (0.49) | DRD2ADRA1AHSD11B1HTR1A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 322/4885ADRA1A 376/4885HSD11B1 3/4885 |
| US-20140249174-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | HSD17B1, HSD3B1, HSD11B1 | DRD2 322/4885ADRA1A 376/4885HSD11B1 3/4885 |
| US-20120157488-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | HSD17B1, HSD3B1, HSD11B1 | DRD2 322/4885ADRA1A 376/4885HSD11B1 3/4885 |
| US-20110136800-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | HSD17B1, HSD3B1, HSD11B1 | DRD2 322/4885ADRA1A 376/4885HSD11B1 3/4885 |
| US-20160272590-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | HSD17B1, HSD3B1, HSD11B1 | DRD2 322/4885ADRA1A 376/4885HSD11B1 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.