Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.74 |
| ▸ | TACR3 | P29371 | 6/20 | 0.63 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Netupitant SCHEMBL445804 | 0.90 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL29809811 | 0.90 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL17222804 | 0.90 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| Befetupitant SCHEMBL29374667 | 0.90 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| Befetupitant SCHEMBL1399438 | 0.90 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL4373285 | 0.90 | TACR1 (0.82) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL6637560 | 0.90 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL30800106 | 0.90 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL4128039 | 0.89 | TACR1 (0.84) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL5966367 | 0.89 | TACR1 (1.00) | 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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160030474-A1 | Brain, Spinal and Nerve Injury Treatment | EUSTRALIS PHARMACEUTICALS LIMITED (AU) | 2016-02-04 | — | — | US | claimed |
| EP-1776342-B1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-03-02 | — | — | EP | claimed |
| US-20090253698-A1 | Brain, Spinal and Nerve Injury Treatment | EUSTRALIS PHARMACEUTICALS LIMITED (AU) | 2009-10-08 | — | — | US | claimed |
| US-7384939-B2 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | ROCHE COLORADO CORPORATION (US) | 2008-06-10 | — | — | US | claimed |
| EP-1656351-B1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | claimed |
| EP-1656351-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-17 | — | — | EP | claimed |
| EP-1385577-B1 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | 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-20060014959-A1 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | ROCHE COLORADO CORPORATION (US) | 2006-01-19 | — | — | US | claimed |
| US-20050107380-A1 | Brain, spinal and nerve injury treatment | EUSTRALIS PHARMACEUTICALS LIMITED (AU) | 2005-05-19 | — | — | 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-1394150-A1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2004-03-03 | — | — | 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-20020091265-A1 | 4-phenyl-pyridine derivatives | BOS MICHAEL (CA) | 2002-07-11 | — | — | US | claimed |
| US-6297375-B1 | 4-phenyl-pyridine derivatives | HOFFMANN-LA ROCHE INC. | 2001-10-02 | — | — | US | claimed |
| EP-1035115-A1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2000-09-13 | — | — | EP | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 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-20050107380-A1 | Brain, spinal and nerve injury treatment | TACR1, TACR2, NMUR1 | TACR1 1/4885CYP3A4 3086/4885TACR3 50/4885 |
| US-20030004157-A1 | Use of NK-1 receptor antagonists against benign prostatic hyperplasia | KLK3, TACR1, TACR2 | TACR1 2/4885CYP3A4 1133/4885TACR3 124/4885 |
| US-20060014959-A1 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | BDKRB1, TACR1, NPSR1 | TACR1 2/4885CYP3A4 368/4885TACR3 30/4885 |
| 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-20020091265-A1 | 4-phenyl-pyridine derivatives | CBR1, CBR3, HCCS | TACR1 534/4885CYP3A4 908/4885TACR3 551/4885 |
| US-20160030474-A1 | Brain, Spinal and Nerve Injury Treatment | TACR1, TACR2, NMUR1 | TACR1 1/4885CYP3A4 3086/4885TACR3 50/4885 |
| US-20090253698-A1 | Brain, Spinal and Nerve Injury Treatment | TACR1, TACR2, NMUR1 | TACR1 1/4885CYP3A4 3086/4885TACR3 50/4885 |
“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.