Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Netupitant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 19/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.74 |
| ▸ | TACR3 | P29371 | 5/20 | 0.65 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.63 |
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 SCHEMBL17222804 | 1.00 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL30800106 | 1.00 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL29809811 | 0.99 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL445804 | 0.99 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL23895400 | 0.97 | TACR1 (0.95) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL13921492 | 0.97 | TACR1 (0.95) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL15678883 | 0.94 | TACR1 (0.89) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL1399445 | 0.90 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL4128039 | 0.90 | TACR1 (0.84) | TACR1CYP3A4TACR3GPBAR1 | |
| Befetupitant SCHEMBL1469769 | 0.90 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1035115-B1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2004-09-29 | — | — | EP | disclosed |
| EP-1394150-A1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2004-03-03 | — | — | EP | disclosed |
| US-6479483-B2 | 3,4,6-SUBSTITUTED PYRIDINE DERIVATIVES USEFUL FOR TREATING DEPRESSION AND PAIN, RESULTING FROM INFLAMMATORY CONDITIONS, SUCH AS MIGRAINE, RHEUMATOID ARTHRITIS, ASTHMA AND INFLAMATORY BOWEL DISEASE; NK1 RECEPTOR ANTAGONIST | HOFFMANN-LA ROCHE INC. | 2002-11-12 | — | — | US | disclosed |
| US-20020091265-A1 | 4-phenyl-pyridine derivatives | BOS MICHAEL (CA) | 2002-07-11 | — | — | US | disclosed |
| US-6297375-B1 | 4-phenyl-pyridine derivatives | HOFFMANN-LA ROCHE INC. | 2001-10-02 | — | — | US | disclosed |
| EP-1035115-A1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2000-09-13 | — | — | EP | 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-20020091265-A1 | 4-phenyl-pyridine derivatives | CBR1, CBR3, HCCS | TACR1 534/4885CYP3A4 908/4885TACR3 551/4885 |
“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.