SCHEMBL13015178

SCHEMBL13015178

CC(C)(C)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 8/20 0.51
RAMP1 O60894 7/20 0.51
ADM2 Q7Z4H4 10/20 0.50
CALCB P10092 9/20 0.49
CALCA P06881 2/20 0.48

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
SCHEMBL13015187 0.85 CALCRL (0.38) CALCRLRAMP1ADM2CALCB
SCHEMBL24220794 0.83 CALCA (0.50) CALCRLRAMP1ADM2CALCBCALCA
SCHEMBL1700141 0.83 CALCA (0.50) CALCRLRAMP1ADM2CALCBCALCA
SCHEMBL27308573 0.83 CALCA (0.52) CALCRLRAMP1ADM2CALCBCALCA
SCHEMBL10246001 0.82 CALCRL (0.51) CALCRLRAMP1ADM2CALCBCALCA
SCHEMBL15935551 0.81 CALCRL (0.36) CALCRLRAMP1ADM2CALCBCALCA
SCHEMBL13015182 0.81 CALCRL (0.38) CALCRLRAMP1ADM2CALCB
SCHEMBL12622804 0.81 ADM2 (0.54) CALCRLRAMP1ADM2CALCB
SCHEMBL13671264 0.81 CALCA (0.50) CALCRLRAMP1ADM2CALCBCALCA
SCHEMBL549390 0.81 CALCA (0.50) CALCRLRAMP1ADM2CALCBCALCA

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
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
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.