SCHEMBL3521177

SCHEMBL3521177

Nc1c(Cl)cc(CC(CC(=O)N2CCC(n3c(=O)[nH]c4c5ccccc5ncc43)CC2)C(=O)N2CCN(C3CCOCC3)CC2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 15/20 0.55
RAMP1 O60894 1/20 0.55
CHRM1 P11229 2/20 0.37
TNKS O95271 3/20 0.36
PARP1 P09874 3/20 0.36
PARP2 Q9UGN5 3/20 0.36
CYP3A4 P08684 1/20 0.34

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
SCHEMBL3521174 1.00 CALCRL (0.55) CALCRLRAMP1CHRM1TNKSPARP1
SCHEMBL3309597 0.94 CALCRL (0.63) CALCRLRAMP1CHRM1TNKSPARP1
SCHEMBL3309604 0.94 CALCRL (0.63) CALCRLRAMP1CHRM1TNKSPARP1
SCHEMBL13313782 0.89 CALCRL (0.46) CALCRLRAMP1CYP3A4
SCHEMBL3309323 0.89 CALCRL (0.48) CALCRLRAMP1CHRM1TNKSPARP1
SCHEMBL3309312 0.89 CALCRL (0.48) CALCRLRAMP1CHRM1TNKSPARP1
SCHEMBL13313781 0.89 CALCRL (0.42) CALCRLRAMP1CHRM1TNKSPARP1
SCHEMBL3316817 0.87 CALCRL (0.48) CALCRLRAMP1CHRM1TNKSPARP1
SCHEMBL3316819 0.87 CALCRL (0.48) CALCRLRAMP1CHRM1TNKSPARP1
SCHEMBL13313770 0.85 CALCRL (0.46) CALCRLRAMP1CHRM1CYP3A4

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 CALCRL 1/4885RAMP1 62/4885CHRM1 42/4885
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 50/4885CHRM1 32/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 50/4885CHRM1 32/4885

“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.