Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 20/20 | 0.56 |
| ▸ | HCRTR1 | O43613 | 15/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17501822 | 1.00 | HCRTR2 (0.56) | HCRTR2HCRTR1CYP3A4NR1I2ADRA2B | |
| SCHEMBL1821513 | 0.90 | HCRTR2 (0.47) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL1821453 | 0.90 | HCRTR2 (0.54) | HCRTR2HCRTR1 | |
| SCHEMBL8219052 | 0.90 | HCRTR2 (0.54) | HCRTR2HCRTR1 | |
| SCHEMBL1819747 | 0.88 | HCRTR2 (0.47) | HCRTR2HCRTR1 | |
| SCHEMBL12378866 | 0.88 | HCRTR2 (0.45) | HCRTR2HCRTR1 | |
| SCHEMBL19698536 | 0.85 | HCRTR1 (0.59) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL8217402 | 0.85 | HCRTR2 (0.53) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL2897364 | 0.85 | HCRTR2 (0.53) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL5097795 | 0.84 | HCRTR2 (0.61) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017133620-A1 | SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF | 浙江华海药业股份有限公司 | 2017-08-10 | — | — | WO | disclosed |
| US-20160168138-A1 | PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT | REDDY S LAB LIMTED DR (IN) | 2016-06-16 | — | — | US | 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-20110195957-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-08-11 | — | — | US | 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 |
| 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 |
| 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 |
| 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 (3 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 | HCRTR2 1/4885HCRTR1 2/4885CYP3A4 2856/4885 |
| US-20160168138-A1 | PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT | KMO, HCRTR2, COMT | HCRTR2 2/4885HCRTR1 5/4885CYP3A4 18/4885 |
| US-20110195957-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, CRHR1 | HCRTR2 1/4885HCRTR1 2/4885CYP3A4 2856/4885 |
“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.