SCHEMBL13062456

SCHEMBL13062456

CCc1ccc2c(c1)CC1(C2)C(=O)Nc2ncncc21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 14/20 0.39
RAMP1 O60894 6/20 0.39
ADM2 Q7Z4H4 4/20 0.35
CALCA P06881 2/20 0.34
CALCB P10092 3/20 0.33

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
SCHEMBL15935911 0.84 CALCRL (0.39) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL24220811 0.81 CALCRL (0.54) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL13062458 0.81 CALCRL (0.54) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL261125 0.81 CALCRL (0.36) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL13015182 0.81 CALCRL (0.38) CALCRLRAMP1ADM2CALCB
SCHEMBL13062460 0.80 PARP1 (0.32)
SCHEMBL7031017 0.80 CALCRL (0.43) CALCRLRAMP1ADM2CALCB
SCHEMBL13062457 0.79 CALCRL (0.40) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL10119963 0.78 CALCRL (0.44) CALCRLRAMP1ADM2
SCHEMBL18307248 0.77 CALCRL (0.39) CALCRLRAMP1ADM2CALCB

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-8796260-B2 Imidazobenzazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-08-05 US disclosed
US-20100324023-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-12-23 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-20100324023-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, CALCRL CALCRL 3/4885RAMP1 53/4885ADM2 355/4885

“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.