SCHEMBL13034501

SCHEMBL13034501

O=C1CC(NC(=O)c2ccc3cc4c(cc3n2)CC2(C4)C(=O)Nc3ncccc32)c2ccccc2N1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 13/20 0.54
CALCA P06881 7/20 0.47
RAMP1 O60894 1/20 0.43

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
SCHEMBL12990523 0.88 CALCRL (0.51) CALCRLCALCARAMP1
SCHEMBL13376823 0.85 CALCRL (0.57) CALCRLRAMP1
SCHEMBL13034492 0.81 CALCA (0.51) CALCRLCALCARAMP1
SCHEMBL13034499 0.80 CALCA (0.52) CALCRLCALCARAMP1
SCHEMBL13034485 0.80 CALCA (0.54) CALCRLCALCA
SCHEMBL3526238 0.80 CALCA (0.54) CALCRLCALCA
SCHEMBL14536055 0.79 CALCRL (0.53) CALCRLCALCA
SCHEMBL1393838 0.78 CALCA (0.60) CALCRLCALCA
SCHEMBL1393840 0.78 CALCA (0.60) CALCRLCALCA
SCHEMBL13083798 0.78 CALCA (0.51) CALCRLCALCA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954135-B1 SPIROLACTAM ARYL CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
US-7851464-B2 Spirolactam aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-12-14 US disclosed
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-10-01 US disclosed
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-10-01 US disclosed
WO-2007061677-A2 SPIROLACTAM ARYL CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 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-20090247514-A1 Spirolactam aryl cgrp receptor antagonists CALCRL, BDKRB1, CALCR CALCRL 1/4885CALCA 5/4885RAMP1 41/4885

“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.