SCHEMBL178848

SCHEMBL178848

Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.88
CYP3A4 P08684 1/20 0.88
CALCA P06881 17/20 0.86

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.

Compoundsimilaritytop predictedshared targets
Zavegepant SCHEMBL23748834 0.93 CALCRL (1.00) CALCRLCYP3A4CALCA
Zavegepant SCHEMBL29360253 0.93 CALCRL (1.00) CALCRLCYP3A4CALCA
Zavegepant SCHEMBL142472 0.93 CALCRL (1.00) CALCRLCYP3A4CALCA
Zavegepant SCHEMBL29918913 0.93 CALCRL (1.00) CALCRLCYP3A4CALCA
Zavegepant SCHEMBL107428 0.93 CALCRL (1.00) CALCRLCYP3A4CALCA
Zavegepant SCHEMBL29182146 0.93 CALCRL (0.99) CALCRLCYP3A4CALCA
Zavegepant SCHEMBL29918668 0.93 CALCRL (0.99) CALCRLCYP3A4CALCA
SCHEMBL30763651 0.92 CALCRL (0.95) CALCRLCYP3A4CALCA
SCHEMBL29161729 0.92 CALCRL (0.95) CALCRLCYP3A4CALCA
SCHEMBL29161731 0.92 CALCRL (0.95) CALCRLCYP3A4CALCA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552906-B1 CGRP RECEPTOR ANTAGONIST BRISTOL MYERS SQUIBB CO (US) 2016-01-06 EP disclosed
US-8481546-B2 CGRP receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-09 US disclosed
US-20120059017-A1 CGRP Receptor Antagonist BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120059017-A1 CGRP Receptor Antagonist CALCRL, PTGIR, CALCR CALCRL 1/4885CYP3A4 3127/4885CALCA 7/4885

“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.