Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 18/20 | 0.52 |
| ▸ | HCRTR1 | O43613 | 15/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1821519 | 0.86 | HCRTR2 (0.49) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL5104464 | 0.80 | HCRTR2 (0.50) | HCRTR2HCRTR1 | |
| SCHEMBL1819747 | 0.79 | HCRTR2 (0.47) | HCRTR2HCRTR1 | |
| SCHEMBL1819750 | 0.76 | HCRTR2 (0.46) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL1821277 | 0.75 | HCRTR2 (0.51) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL1716841 | 0.70 | HCRTR2 (0.81) | HCRTR2HCRTR1 | |
| SCHEMBL17563582 | 0.69 | HCRTR2 (0.77) | HCRTR2HCRTR1 | |
| SCHEMBL16198471 | 0.69 | HCRTR2 (0.77) | HCRTR2HCRTR1 | |
| SCHEMBL29515626 | 0.68 | HCRTR1 (1.00) | HCRTR2HCRTR1 | |
| SCHEMBL15825008 | 0.68 | HCRTR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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-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.