SCHEMBL1395323

SCHEMBL1395323

CC1(C)CC(c2ccccc2)N(Cc2ccc3cc4c(cc3n2)C[C@]2(C4)C(=O)Nc3ncccc32)C1=O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCA P06881 13/20 0.68
CALCRL Q16602 7/20 0.59

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
SCHEMBL10153858 0.89 CALCA (0.53) CALCACALCRL
SCHEMBL12049365 0.81 CALCRL (0.73) CALCACALCRL
SCHEMBL12049376 0.79 CALCRL (0.72) CALCACALCRL
SCHEMBL12049384 0.79 CALCA (0.78) CALCACALCRL
SCHEMBL1393877 0.78 CALCA (0.80) CALCACALCRL
SCHEMBL10153140 0.78 CALCA (0.71) CALCACALCRL
SCHEMBL10153295 0.78 CALCA (0.71) CALCACALCRL
SCHEMBL10153198 0.78 CALCA (0.71) CALCACALCRL
SCHEMBL12049367 0.77 CALCRL (0.65) CALCACALCRL
SCHEMBL1394294 0.77 CALCA (0.72) CALCACALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
WO-2010107605-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-23 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 (2 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 CALCA 12/4885CALCRL 2/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL CALCA 13/4885CALCRL 3/4885

“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.