Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.66 |
| ▸ | TACR3 | P29371 | 7/20 | 0.57 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7139199 | 0.90 | TACR1 (0.72) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL1872843 | 0.85 | TACR1 (0.81) | TACR1CYP3A4TACR3 | |
| SCHEMBL1874201 | 0.85 | TACR1 (0.84) | TACR1CYP3A4TACR3 | |
| Netupitant SCHEMBL445804 | 0.85 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL1875761 | 0.85 | TACR1 (0.81) | TACR1CYP3A4TACR3 | |
| Netupitant SCHEMBL29809811 | 0.85 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL1872845 | 0.85 | TACR1 (0.81) | TACR1CYP3A4TACR3 | |
| Netupitant SCHEMBL6637560 | 0.84 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL4373285 | 0.84 | TACR1 (0.82) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL30800106 | 0.84 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 |
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 23 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 |
| 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 |
| 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 |
| US-20110053954-A1 | METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY | HOFFMANN TORSTEN | 2011-03-03 | — | — | US | disclosed |
| US-20060247240-A1 | Method of treatment and/or prevention of brain, spinal or nerve injury | HOFFMANN TORSTEN | 2006-11-02 | — | — | US | disclosed |
| EP-1309559-B1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-06-07 | — | — | 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 |
| 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| US-20030004157-A1 | Use of NK-1 receptor antagonists against benign prostatic hyperplasia | F. HOFFMANN-LA ROCHE AG (CH) | 2003-01-02 | — | — | US | disclosed |
| WO-2002085458-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | F. HOFFMAN-LA ROCHE AG (CH) | 2002-10-31 | — | — | WO | 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 |
| WO-2002016324-A1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-28 | — | — | 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 (5 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-20110053954-A1 | METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY | NTSR1, NTRK2, NMUR1 | TACR1 14/4885CYP3A4 3255/4885TACR3 25/4885 |
| 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-20060247240-A1 | Method of treatment and/or prevention of brain, spinal or nerve injury | NTSR1, NTRK2, NMUR1 | TACR1 10/4885CYP3A4 3267/4885TACR3 21/4885 |
“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.