Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | CCR6 | P51684 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | CKS1B | P61024 | 1/20 | 0.44 |
| ▸ | SKP1 | P63208 | 1/20 | 0.44 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15716592 | 0.91 | SYK (0.55) | SYKIDO1CCR6PAX8CKS1B | |
| SCHEMBL12093506 | 0.90 | SYK (0.49) | SYKIDO1CCR6PAX8CKS1B | |
| SCHEMBL25346745 | 0.89 | CCR6 (0.52) | SYKIDO1CCR6PAX8CKS1B | |
| SCHEMBL25970217 | 0.89 | SYK (0.53) | SYKIDO1CCR6PAX8CKS1B | |
| SCHEMBL25227190 | 0.87 | HTT (0.49) | SYKIDO1CCR6PAX8HTT | |
| SCHEMBL2685379 | 0.86 | SYK (0.50) | SYKIDO1CCR6PAX8CKS1B | |
| SCHEMBL19795747 | 0.86 | CCR6 (0.52) | SYKIDO1CCR6PAX8CKS1B | |
| SCHEMBL2748437 | 0.85 | SYK (0.49) | SYKIDO1CCR6PAX8CKS1B | |
| SCHEMBL17545677 | 0.85 | SYK (0.49) | SYKIDO1CCR6PAX8CKS1B | |
| SCHEMBL16490057 | 0.85 | SYK (0.49) | SYKIDO1CCR6PAX8CKS1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017211733-A1 | CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF | ENANTIA, S.L. (ES) | 2017-12-14 | — | — | WO | disclosed |
| WO-2016020404-A1 | PROCESS FOR THE RESOLUTION OF (R,S)-DIAZEPANE AND DIAZEPANONE DERIVATIVES | SANDOZ AG (CH) | 2016-02-11 | — | — | WO | disclosed |
| EP-2392572-B1 | Substituted diazepan compounds as orexin receptor antagonists | MERCK SHARP & DOHME (US) | 2014-05-14 | — | — | EP | disclosed |
| EP-2089382-B1 | SUBSTITUTED DIAZEPAN COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-10-24 | — | — | EP | disclosed |
| EP-2392572-A1 | Substituted diazepan compounds as orexin receptor antagonists | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | disclosed |
| US-20110195957-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-08-11 | — | — | US | disclosed |
| US-7951797-B2 | 1-heteroaryl-4-benzoyl-5-(alkyl or cycloalkyl)-1,4-diazepanes; sleep disorders, analgesics, obesity, Parkinson's disease, psychosis and schizophrenia; 6-fluoro-2-{(5R)-5-methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline for example | MERCK SHARP & DOHME CORP. (US) | 2011-05-31 | — | — | US | disclosed |
| WO-2008069997-A1 | SUBSTITUTED DIAZEPAN COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-06-12 | — | — | WO | disclosed |
| US-20080132490-A1 | Substituted diazepan orexin receptor antagonists | MERCK SHARP & DOHME LLC | 2008-06-05 | — | — | 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-20080132490-A1 | Substituted diazepan orexin receptor antagonists | HCRTR2, HCRTR1, CRHR1 | SYK 3167/4885IDO1 390/4885CCR6 1082/4885 |
| US-20110195957-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, CRHR1 | SYK 3167/4885IDO1 390/4885CCR6 1082/4885 |
“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.