Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 18/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 17/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27900613 | 0.88 | HCRTR1 (0.50) | HCRTR1HCRTR2CYP3A4ELANE | |
| SCHEMBL1586785 | 0.86 | KDM4E (0.50) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL31175258 | 0.86 | KDM4E (0.50) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17069778 | 0.82 | HCRTR1 (0.46) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL16025392 | 0.81 | HCRTR1 (0.49) | HCRTR1HCRTR2 | |
| SCHEMBL14886143 | 0.79 | ALDH1A1 (0.41) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL12150154 | 0.73 | HCRTR2 (0.45) | HCRTR1HCRTR2 | |
| SCHEMBL17071976 | 0.72 | HCRTR1 (0.52) | HCRTR1HCRTR2 | |
| SCHEMBL14886142 | 0.71 | ACHE (0.43) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL14951333 | 0.71 | P2RX7 (0.36) | HCRTR1HCRTR2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9617246-B2 | Thioether-piperidinyl orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-04-11 | — | — | US | disclosed |
| US-9586950-B2 | 2-pyridyloxy-3-ester-4-nitrile orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |
| US-20160304490-A1 | 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-10-20 | — | — | US | disclosed |
| US-20150252033-A1 | 2-PYRIDYLOXY-3-ESTER-4-NITRILE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-09-10 | — | — | 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-20150252033-A1 | 2-PYRIDYLOXY-3-ESTER-4-NITRILE OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, NTSR2 | HCRTR1 2/4885HCRTR2 1/4885CYP3A4 969/4885 |
| US-20160304490-A1 | 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, NPY4R | HCRTR1 2/4885HCRTR2 1/4885CYP3A4 1051/4885 |
“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.