SCHEMBL178841

SCHEMBL178841

Cc1cc(C[C@@H](NC(=O)N2CCC(C3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 4/20 0.79
CYP3A4 P08684 3/20 0.79
CYP2D6 P10635 1/20 0.79
CALCA P06881 16/20 0.71

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
SCHEMBL3599533 0.88 CALCRL (1.00) CALCRLCYP3A4CYP2D6CALCA
SCHEMBL30543746 0.88 CALCRL (1.00) CALCRLCYP3A4CYP2D6CALCA
SCHEMBL3594838 0.83 CALCRL (0.74) CALCRLCYP3A4CYP2D6CALCA
SCHEMBL30231716 0.83 CALCA (0.84) CALCA
SCHEMBL3604611 0.81 CALCA (0.73) CALCRLCYP3A4CYP2D6CALCA
SCHEMBL30231971 0.81 CALCRL (0.86) CALCRLCYP3A4CYP2D6CALCA
SCHEMBL5456743 0.81 CALCRL (0.86) CALCRLCYP3A4CYP2D6CALCA
SCHEMBL3607829 0.80 CALCRL (1.00) CALCRLCYP3A4CYP2D6CALCA
SCHEMBL13053544 0.80 CALCRL (1.00) CALCRLCYP3A4CYP2D6CALCA
SCHEMBL13053295 0.80 CALCRL (0.89) CALCRLCYP3A4CYP2D6CALCA

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 3127/4885CYP2D6 2512/4885

“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.