SCHEMBL2165385

SCHEMBL2165385

CCOC(=O)CC1CCN(C2CCN(C(=O)[C@@H](Cc3cc(C)c(O)c(C)c3)OC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)CC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.78
RAMP1 O60894 2/20 0.78
CYP3A4 P08684 2/20 0.42

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
SCHEMBL2164621 0.96 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL2164627 0.96 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL2164618 0.96 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL2165033 0.96 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL14017776 0.95 CALCRL (0.71) CALCRLRAMP1
SCHEMBL2087205 0.93 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL2165103 0.93 CALCRL (0.68) CALCRLRAMP1CYP3A4
SCHEMBL2164094 0.93 CALCRL (0.81) CALCRLRAMP1CYP3A4
SCHEMBL13655695 0.91 CALCRL (0.69) CALCRLRAMP1CYP3A4
SCHEMBL2166239 0.91 CALCRL (0.83) CALCRLRAMP1CYP3A4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985747-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-26 US disclosed
US-7807666-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 US disclosed
US-7807666-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 US disclosed
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-16 US disclosed
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-16 US disclosed
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-16 US disclosed
US-7700598-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-20 US disclosed
US-7700598-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-20 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-7479488-B2 Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-20 US disclosed
US-7479488-B2 Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-20 US disclosed
US-7479488-B2 Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-20 US disclosed
EP-1992349-A1 CGRP antagonists, their preparation and use as a medicament Boehringer Ingelheim International GmbH (DE) 2008-11-19 EP disclosed
EP-1863791-B1 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2008-11-12 EP disclosed
US-20080139537-A1 CGRP Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-12 US disclosed
US-20080139537-A1 CGRP Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-12 US disclosed
WO-2007141285-A1 TREATMENT OF GASTROINTESTINAL DISORDERS WITH CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 WO disclosed
US-20060252750-A1 Selected 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 (4 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-20080139537-A1 CGRP Antagonists VIP, VIPR2, CALCRL CALCRL 3/4885RAMP1 111/4885CYP3A4 3714/4885
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 92/4885CYP3A4 1182/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 92/4885CYP3A4 1182/4885
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 92/4885CYP3A4 1182/4885

“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.