Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | FASN | P49327 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.35 |
| ▸ | BRAF | P15056 | 2/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL3692025 | 0.91 | KDM4E (0.41) | ROCK2ROCK1LTA4HFASNKDM4E | |
| SCHEMBL3697241 | 0.90 | S1PR1 (0.39) | ROCK2ROCK1LTA4HFASNMCHR1 | |
| SCHEMBL3695104 | 0.89 | ROCK2 (0.40) | ROCK2ROCK1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL3695817 | 0.87 | ROCK2 (0.49) | ROCK2ROCK1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL3695681 | 0.85 | ROCK2 (0.40) | ROCK2ROCK1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL3697419 | 0.84 | ROCK2 (0.39) | ROCK2ROCK1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL3694397 | 0.84 | CYP17A1 (0.38) | ROCK2ROCK1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL3694490 | 0.82 | HTR2C (0.39) | ROCK2ROCK1KDM4EALDH1A1GAA | |
| SCHEMBL3695757 | 0.82 | ROCK2 (0.45) | ROCK2ROCK1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL3693891 | 0.81 | DYRK1A (0.46) | ROCK2ROCK1LTA4HMAP3K11MCHR1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851199-B1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-05-16 | — | — | EP | claimed |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | claimed |
| EP-1851199-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | Aventis Pharmaceuticals, Inc. (US) | 2007-11-07 | — | — | EP | claimed |
| WO-2006086705-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-17 | — | — | WO | claimed |
| EP-1851199-B1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-05-16 | — | — | EP | disclosed |
| US-7625889-B2 | Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-7625889-B2 | Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-7625889-B2 | Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-7618650-B2 | Combination of a hypnotic agent and substituted bis aryl and heteroaryl compound and therapeutic application thereof | AVENTIS PHARMACEUTICALS INC (US) | 2009-11-17 | — | — | US | disclosed |
| EP-1928442-B1 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | AVENTIS PHARMA INC (US) | 2009-11-04 | — | — | EP | disclosed |
| US-20080138413-A1 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | AVENTIS PHARMACEUTICALS INC. (US) | 2008-06-12 | — | — | US | disclosed |
| EP-1928442-A2 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | Aventis Pharmaceuticals Inc. (US) | 2008-06-11 | — | — | EP | disclosed |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | disclosed |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | disclosed |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | disclosed |
| EP-1851199-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | Aventis Pharmaceuticals, Inc. (US) | 2007-11-07 | — | — | EP | disclosed |
| WO-2007024600-A2 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-01 | — | — | WO | disclosed |
| WO-2006086705-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-17 | — | — | 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-20080138413-A1 | COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF | HCRTR1, HCRTR2, MTNR1B | ROCK2 1955/4885ROCK1 2298/4885CYP17A1 446/4885 |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | HTR2A, HTR2B, HTR2C | ROCK2 2422/4885ROCK1 3872/4885CYP17A1 652/4885 |
“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.