Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 20/20 | 0.68 |
| ▸ | HCRTR1 | O43613 | 14/20 | 0.68 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1818376 | 1.00 | HCRTR2 (0.68) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL1818875 | 0.87 | HCRTR2 (0.77) | HCRTR2HCRTR1 | |
| SCHEMBL1818223 | 0.87 | HCRTR2 (0.80) | HCRTR2HCRTR1 | |
| SCHEMBL1654954 | 0.87 | HCRTR2 (0.80) | HCRTR2HCRTR1 | |
| SCHEMBL1819664 | 0.87 | HCRTR2 (0.77) | HCRTR2HCRTR1 | |
| SCHEMBL1821063 | 0.83 | HCRTR2 (0.69) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL8081998 | 0.81 | HCRTR2 (1.00) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL1820363 | 0.81 | HCRTR2 (1.00) | HCRTR2HCRTR1 | |
| SCHEMBL1818397 | 0.81 | HCRTR2 (1.00) | HCRTR2HCRTR1 | |
| SCHEMBL9987895 | 0.81 | HCRTR2 (1.00) | HCRTR2HCRTR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-2089382-A1 | SUBSTITUTED DIAZEPAN COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-08-19 | — | — | EP | 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 | HCRTR2 1/4885HCRTR1 2/4885NR1I2 274/4885 |
| US-20110195957-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, CRHR1 | HCRTR2 1/4885HCRTR1 2/4885NR1I2 274/4885 |
“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.