Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 18/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 16/20 | 0.59 |
| ▸ | CALCA | P06881 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4030447 | 0.98 | CALCRL (0.58) | CALCRLCYP3A4CALCA | |
| SCHEMBL6706538 | 0.94 | CALCRL (0.67) | CALCRLCYP3A4CALCA | |
| SCHEMBL6706484 | 0.92 | CALCRL (0.66) | CALCRLCYP3A4CALCA | |
| SCHEMBL4034483 | 0.91 | CALCRL (0.56) | CALCRLCYP3A4CALCA | |
| SCHEMBL4361175 | 0.91 | CALCRL (0.70) | CALCRLCYP3A4 | |
| SCHEMBL3960816 | 0.91 | CALCRL (0.70) | CALCRLCYP3A4 | |
| SCHEMBL4030324 | 0.90 | CALCRL (0.59) | CALCRLCYP3A4CALCA | |
| SCHEMBL4035527 | 0.90 | CALCRL (0.55) | CALCRLCYP3A4CALCA | |
| SCHEMBL4356762 | 0.89 | CALCRL (0.55) | CALCRLCYP3A4CALCA | |
| Maleic Acid SCHEMBL4481356 | 0.88 | CALCRL (0.66) | CALCRLCYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1587795-B1 | N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE | BOEHRINGER INGELHEIM INT (DE) | 2009-05-13 | — | — | EP | claimed |
| US-20040192729-A1 | Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-09-30 | — | — | US | claimed |
| EP-1587795-B1 | N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE | BOEHRINGER INGELHEIM INT (DE) | 2009-05-13 | — | — | EP | disclosed |
| US-20040192729-A1 | Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-09-30 | — | — | 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-20040192729-A1 | Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof | NPY1R, ADCY1, SRD5A1 | CALCRL 406/4885CYP3A4 117/4885CALCA 423/4885 |
“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.