SCHEMBL10330728

SCHEMBL10330728

COC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.52
RAMP1 O60894 7/20 0.52
CHRM4 P08173 1/20 0.44

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
SCHEMBL1820339 0.87 CALCRL (0.50) CALCRLRAMP1
SCHEMBL13655717 0.86 CALCRL (0.52) CALCRLRAMP1
SCHEMBL2087424 0.85 CALCRL (0.55) CALCRLRAMP1CHRM4
SCHEMBL2165841 0.84 CALCRL (0.52) CALCRLRAMP1CHRM4
SCHEMBL29872287 0.84 CALCRL (0.52) CALCRLRAMP1CHRM4
SCHEMBL12622797 0.83 CALCRL (0.52) CALCRLRAMP1
SCHEMBL3375035 0.83 CALCRL (0.48) CALCRLRAMP1CHRM4
SCHEMBL14016751 0.83 CALCRL (0.49) CALCRLRAMP1CHRM4
SCHEMBL13423387 0.83 CALCRL (0.51) CALCRLRAMP1CHRM4
SCHEMBL3375036 0.82 CALCRL (0.47) CALCRLRAMP1CHRM4

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-8222402-B2 Preparation process BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-17 US disclosed
US-8222402-B2 Preparation process BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-17 US disclosed
US-20110071286-A1 NOVEL PREPARATION PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071286-A1 NOVEL PREPARATION PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-7579341-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-25 US disclosed
US-7491717-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-17 US disclosed
US-7491717-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-17 US disclosed
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-01 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 (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-20110071286-A1 NOVEL PREPARATION PROCESS RPLP1, RPLP2, CYP1B1 CALCRL 2279/4885RAMP1 1228/4885CHRM4 1061/4885
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 56/4885CHRM4 238/4885

“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.