Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | TACR3 | P29371 | 8/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5778839 | 0.91 | TACR1 (0.65) | TACR1TACR3 | |
| SCHEMBL6019571 | 0.88 | TACR1 (0.62) | TACR1CYP3A4TACR3 | |
| Befetupitant SCHEMBL29374667 | 0.88 | TACR1 (1.00) | TACR1CYP3A4TACR3 | |
| Befetupitant SCHEMBL1399438 | 0.88 | TACR1 (1.00) | TACR1CYP3A4TACR3 | |
| Befetupitant SCHEMBL1469769 | 0.87 | TACR1 (0.98) | TACR1CYP3A4TACR3 | |
| SCHEMBL5778700 | 0.84 | TACR1 (0.73) | TACR1CYP3A4TACR3 | |
| SCHEMBL5761987 | 0.84 | TACR1 (0.78) | TACR1CYP3A4TACR3 | |
| SCHEMBL5170729 | 0.82 | TACR1 (0.69) | TACR1CYP3A4TACR3 | |
| Netupitant SCHEMBL445804 | 0.81 | TACR1 (1.00) | TACR1CYP3A4TACR3 | |
| Netupitant SCHEMBL29809811 | 0.81 | TACR1 (1.00) | TACR1CYP3A4TACR3 |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1309559-B1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-06-07 | — | — | EP | claimed |
| EP-1621195-A2 | The use of pyridinic NK-1 receptor antagonists for the treatment of brain, spinal or nerve injury | F.HOFFMANN-LA ROCHE AG (CH) | 2006-02-01 | — | — | EP | claimed |
| US-6770637-B2 | N-(3,5-BIS-TRIFLUOROMETHYL-BENZYL)-6-(4-HYDROXYACETYL-PIPERAZIN-1 -YL)-N-METHYL-4-O-TOLYL-NICOTINAMIDE, FOR EXAMPLE | HOFFMANN-LA ROCHE INC. | 2004-08-03 | — | — | US | claimed |
| EP-1406618-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS WITH PYRIDINIC STRUCTURE FOR THE TREATMENT OF BRAIN, SPINAL OR NERVE INJURY | F. HOFFMANN-LA ROCHE AG (CH) | 2004-04-14 | — | — | EP | claimed |
| EP-1385577-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | F. Hoffman-la Roche AG (CH) | 2004-02-04 | — | — | EP | claimed |
| EP-1309559-A1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-14 | — | — | EP | claimed |
| US-20030083345-A1 | Method of treatment and/or prevention of brain, spinal or nerve injury | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-01 | — | — | US | claimed |
| WO-2003006016-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS WITH PYRIDINIC STRUCTURE, FOR THE TREATMENT OF BRAIN, SPINAL OR NERVE INJURY | F. HOFFMANN-LA ROCHE AG (CH) | 2003-01-23 | — | — | WO | claimed |
| US-20030004157-A1 | Use of NK-1 receptor antagonists against benign prostatic hyperplasia | F. HOFFMANN-LA ROCHE AG (CH) | 2003-01-02 | — | — | US | claimed |
| WO-2002085458-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | F. HOFFMAN-LA ROCHE AG (CH) | 2002-10-31 | — | — | WO | claimed |
| US-20020040040-A1 | Substituted 4-phenyl-pyridine compounds with activity as antagonists of neurokinin 1 receptors | F. HOFFMAN-LA ROCHE AG (CH) | 2002-04-04 | — | — | US | claimed |
| WO-2002016324-A1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-28 | — | — | WO | claimed |
| EP-1309559-B1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-06-07 | — | — | EP | disclosed |
| EP-1305319-B1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-04-05 | — | — | EP | disclosed |
| EP-1621195-A2 | The use of pyridinic NK-1 receptor antagonists for the treatment of brain, spinal or nerve injury | F.HOFFMANN-LA ROCHE AG (CH) | 2006-02-01 | — | — | EP | disclosed |
| CN-1192032-C | 4-phenyl-pyridine derivatives as neurokinin-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2005-03-09 | — | — | CN | disclosed |
| US-20020040040-A1 | Substituted 4-phenyl-pyridine compounds with activity as antagonists of neurokinin 1 receptors | F. HOFFMAN-LA ROCHE AG (CH) | 2002-04-04 | — | — | US | disclosed |
| US-20020038030-A1 | Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors | F.HOFFMANN-LA ROCHE AG (CH) | 2002-03-28 | — | — | US | disclosed |
| WO-2002016324-A1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-28 | — | — | WO | disclosed |
| WO-2002008232-A1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-31 | — | — | 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 (4 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-20020040040-A1 | Substituted 4-phenyl-pyridine compounds with activity as antagonists of neurokinin 1 receptors | NPSR1, NTSR1, NTSR2 | TACR1 4/4885CYP3A4 1861/4885TACR3 15/4885 |
| US-20030004157-A1 | Use of NK-1 receptor antagonists against benign prostatic hyperplasia | KLK3, TACR1, TACR2 | TACR1 2/4885CYP3A4 1133/4885TACR3 124/4885 |
| US-20030083345-A1 | Method of treatment and/or prevention of brain, spinal or nerve injury | NTRK2, NTSR1, NMUR1 | TACR1 9/4885CYP3A4 3268/4885TACR3 50/4885 |
| US-20020038030-A1 | Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors | TACR1, NPSR1, TACR2 | TACR1 1/4885CYP3A4 1538/4885TACR3 11/4885 |
“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.