SCHEMBL14146491

SCHEMBL14146491

Cc1cc2c(c3cn[nH]c13)CN(CCN1CCCC1)C(=O)[C@H](NC(=O)N1CCC3(CC1)NC(=O)NC3=O)C2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 18/20 0.46
▸ CRBN Q96SW2 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL14146298 0.88 CALCRL (0.44) CALCRLCRBNCYP3A4
SCHEMBL15701574 0.88 CALCRL (0.44) CALCRLCRBNCYP3A4
SCHEMBL13062472 0.78 CALCRL (0.38) CALCRLCRBN
SCHEMBL13791580 0.74 CALCRL (0.70) CALCRLCYP3A4
SCHEMBL440887 0.71 CALCRL (0.58) CALCRL
SCHEMBL440054 0.71 CALCRL (0.58) CALCRL
SCHEMBL14146293 0.70 CALCRL (0.56) CALCRL
SCHEMBL440106 0.70 CALCRL (0.56) CALCRL
SCHEMBL13062468 0.69 CALCRL (0.39) CALCRLCRBNCYP3A4
SCHEMBL13792073 0.69 CALCRL (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128375-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2014-05-08 — — US disclosed
WO-2008085317-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-07-17 — — WO 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-20140128375-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL CALCRL 3/4885CRBN 2273/4885CYP3A4 1522/4885

“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.

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