SCHEMBL3520944

SCHEMBL3520944

Cc1cc(CC(NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)O)cc(Cl)c1O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCA P06881 1/20 0.56
CALCRL Q16602 19/20 0.56
RAMP1 O60894 3/20 0.56
CYP3A4 P08684 8/20 0.51

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
SCHEMBL3520941 1.00 CALCA (0.56) CALCACALCRLRAMP1CYP3A4
SCHEMBL4501757 0.92 CALCRL (0.56) CALCACALCRLRAMP1CYP3A4
SCHEMBL4795239 0.92 CALCRL (0.53) CALCACALCRLRAMP1CYP3A4
SCHEMBL4795227 0.92 CALCRL (0.53) CALCACALCRLRAMP1CYP3A4
SCHEMBL13313692 0.89 CALCRL (0.60) CALCACALCRLRAMP1CYP3A4
SCHEMBL3518901 0.87 CALCRL (0.64) CALCACALCRLRAMP1CYP3A4
SCHEMBL3876080 0.86 CALCA (0.71) CALCACALCRLRAMP1CYP3A4
SCHEMBL3518834 0.85 CALCRL (0.59) CALCACALCRLRAMP1
SCHEMBL3518838 0.85 CALCRL (0.59) CALCACALCRLRAMP1
SCHEMBL4799683 0.85 CALCRL (0.50) CALCACALCRLRAMP1CYP3A4

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
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7696209-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 US disclosed
US-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 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 (3 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-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCA 3/4885CALCRL 1/4885RAMP1 62/4885
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCA 3/4885CALCRL 1/4885RAMP1 50/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCA 3/4885CALCRL 1/4885RAMP1 50/4885

“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.