Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 8/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 8/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2588082 | 1.00 | CCR5 (0.43) | CCR5ADORA2AADORA1FABP4FABP5 | |
| SCHEMBL2587405 | 1.00 | CCR5 (0.43) | CCR5ADORA2AADORA1FABP4FABP5 | |
| SCHEMBL2596218 | 0.82 | HCRTR1 (0.41) | CCR5FABP4FABP5SMYD3 | |
| SCHEMBL12159896 | 0.82 | HSD11B1 (0.41) | CCR5FABP4FABP5SMYD3HSD11B1 | |
| SCHEMBL2576715 | 0.81 | CCR5 (0.40) | CCR5ADORA2AADORA1FABP4FABP5 | |
| SCHEMBL2576712 | 0.81 | CCR5 (0.40) | CCR5ADORA2AADORA1FABP4FABP5 | |
| SCHEMBL1421874 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL440390 | 0.77 | MAP4K4 (0.42) | CCR5MAP4K4CA1CA2CA9 | |
| SCHEMBL2585944 | 0.77 | CCR5 (0.43) | CCR5ADORA2AADORA1SMYD3HSD11B1 | |
| SCHEMBL2585948 | 0.77 | CCR5 (0.43) | CCR5ADORA2AADORA1SMYD3HSD11B1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763997-B1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2017-08-02 | — | — | EP | disclosed |
| EP-2763997-B1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2017-08-02 | — | — | EP | disclosed |
| US-9346824-B2 | Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists | HOFFMAN-LA ROCHE, INC. (US) | 2016-05-24 | — | — | US | disclosed |
| US-9346824-B2 | Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists | HOFFMAN-LA ROCHE, INC. (US) | 2016-05-24 | — | — | US | disclosed |
| US-9346824-B2 | Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists | HOFFMAN-LA ROCHE, INC. (US) | 2016-05-24 | — | — | US | disclosed |
| EP-2569319-B1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | HOFFMANN LA ROCHE (CH) | 2014-09-24 | — | — | EP | disclosed |
| EP-2763997-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| US-20140221350-A1 | Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists | HOFFMANN-LA ROCHE INC. (US) | 2014-08-07 | — | — | US | disclosed |
| US-20140221350-A1 | Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists | HOFFMANN-LA ROCHE INC. (US) | 2014-08-07 | — | — | US | disclosed |
| US-20140221350-A1 | Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists | HOFFMANN-LA ROCHE INC. (US) | 2014-08-07 | — | — | US | disclosed |
| US-8513238-B2 | Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes | HOFFMANN-LA ROCHE INC. (US) | 2013-08-20 | — | — | US | disclosed |
| WO-2013050334-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |
| EP-2569319-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011141396-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-17 | — | — | WO | disclosed |
| US-20110275801-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | HOFFMANN-LA ROCHE, INC. | 2011-11-10 | — | — | 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 (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-20140221350-A1 | Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists | AVPR1A, AVPR1B, OXTR | CCR5 290/4885ADORA2A 343/4885ADORA1 697/4885 |
| US-20110275801-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | AVPR1A, AVPR1B, OXTR | CCR5 481/4885ADORA2A 823/4885ADORA1 824/4885 |
“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.