Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 20/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL4895679 | 0.85 | TACR3 (1.00) | TACR3CYP3A4KCNH2 | |
| SCHEMBL3959275 | 0.85 | TACR3 (1.00) | TACR3CYP3A4KCNH2 | |
| SCHEMBL4904224 | 0.84 | TACR3 (0.81) | TACR3CYP3A4KCNH2 | |
| SCHEMBL4905999 | 0.83 | TACR3 (0.82) | TACR3CYP3A4KCNH2 | |
| SCHEMBL4902810 | 0.82 | TACR3 (0.79) | TACR3CYP3A4KCNH2 | |
| SCHEMBL4899743 | 0.82 | TACR3 (0.80) | TACR3CYP3A4 | |
| SCHEMBL4897521 | 0.79 | TACR3 (0.88) | TACR3CYP3A4KCNH2 | |
| SCHEMBL4906565 | 0.79 | TACR3 (0.88) | TACR3CYP3A4KCNH2 | |
| SCHEMBL3960856 | 0.79 | TACR3 (1.00) | TACR3CYP3A4KCNH2 | |
| SCHEMBL4894372 | 0.79 | TACR3 (0.69) | TACR3CYP3A4KCNH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080096885-A1 | Quinoline Derivatives as Neurokinin Receptor Antagonists | MERCK SHARP & DOHME LTD. (GB) | 2008-04-24 | — | — | US | claimed |
| US-20080096885-A1 | Quinoline Derivatives as Neurokinin Receptor Antagonists | MERCK SHARP & DOHME LTD. (GB) | 2008-04-24 | — | — | US | disclosed |
| US-20080096885-A1 | Quinoline Derivatives as Neurokinin Receptor Antagonists | MERCK SHARP & DOHME LTD. (GB) | 2008-04-24 | — | — | US | disclosed |
| US-20080096885-A1 | Quinoline Derivatives as Neurokinin Receptor Antagonists | MERCK SHARP & DOHME LTD. (GB) | 2008-04-24 | — | — | US | disclosed |
| WO-2006013393-A2 | QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-02-09 | — | — | WO | 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-20080096885-A1 | Quinoline Derivatives as Neurokinin Receptor Antagonists | TACR3, TACR2, TAC3 | TACR3 1/4885CYP3A4 1590/4885KCNH2 61/4885 |
“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.