SCHEMBL5658647

SCHEMBL5658647

Cc1cc(CC(N)C(=O)N2CCC(c3ccc(F)cc3)CC2)cc2cn[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCA P06881 17/20 0.58
CALCRL Q16602 3/20 0.52

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
SCHEMBL4587481 0.85 CALCA (0.63) CALCACALCRL
SCHEMBL5659360 0.84 CYP3A4 (0.57) CALCACALCRL
SCHEMBL4852728 0.83 CALCRL (0.52) CALCACALCRL
SCHEMBL5659439 0.82 CALCRL (0.49) CALCACALCRL
SCHEMBL5661409 0.82 CALCA (0.47) CALCACALCRL
SCHEMBL4862848 0.82 CALCRL (0.53) CALCACALCRL
SCHEMBL5658729 0.81 ROCK2 (0.47) CALCACALCRL
SCHEMBL4862077 0.81 CYP3A4 (0.48) CALCACALCRL
SCHEMBL3590863 0.81 CALCA (0.64) CALCA
SCHEMBL5661665 0.80 CALCRL (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US claimed
US-7205294-B2 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-17 US disclosed
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 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-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BDKRB1, BDKRB2, CALCRL CALCA 7/4885CALCRL 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.