Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Elinzanetant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 20/20 | 0.70 |
| ▸ | TACR3 known ✓ | P29371 | 13/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Elinzanetant SCHEMBL30106837 | 1.00 | TACR1 (0.70) | TACR1TACR3CYP3A4 | |
| Elinzanetant SCHEMBL337510 | 1.00 | TACR1 (0.70) | TACR1TACR3CYP3A4 | |
| Elinzanetant SCHEMBL3338389 | 0.99 | TACR1 (0.71) | TACR1TACR3CYP3A4 | |
| Elinzanetant SCHEMBL303180 | 0.99 | TACR1 (0.71) | TACR1TACR3CYP3A4 | |
| Elinzanetant SCHEMBL22655398 | 0.99 | TACR1 (0.71) | TACR1TACR3CYP3A4 | |
| Elinzanetant SCHEMBL31181463 | 0.99 | TACR1 (0.71) | TACR1TACR3CYP3A4 | |
| Elinzanetant SCHEMBL336660 | 0.99 | TACR1 (0.71) | TACR1TACR3CYP3A4 | |
| Elinzanetant SCHEMBL29372539 | 0.99 | TACR1 (0.71) | TACR1TACR3CYP3A4 | |
| SCHEMBL14026952 | 0.97 | TACR1 (0.68) | TACR1TACR3CYP3A4 | |
| SCHEMBL15304572 | 0.96 | TACR1 (0.66) | TACR1TACR3CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796269-B2 | Crystalline 2-(3,5-Bis(trifluoromethyl)phenyl)-N-(4-(4-fluoro-2-methylphenyl)-6-((7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl)pyridin-3-yl)-N,2-dimethyl-propanamide of the formula (I), their use in therapy, and process for the preparation of the same | NERRE THERAPEUTICS LIMITED (GB) | 2014-08-05 | — | — | US | disclosed |
| EP-2470545-B1 | ANHYDRATE FORMS OF A PYRIDINE DERIVATIVE | NERRE THERAPEUTICS LTD (GB) | 2013-10-09 | — | — | EP | disclosed |
| US-20120157450-A1 | Anhydrate Forms Of A Pyridine Derivative | KaNDy Therapeutics Limited (GB) | 2012-06-21 | — | — | US | 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-20120157450-A1 | Anhydrate Forms Of A Pyridine Derivative | CA4, CA2, CA7 | TACR1 2249/4885TACR3 2803/4885CYP3A4 41/4885 |
“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.