SCHEMBL2167422

SCHEMBL2167422

O=C(O[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)N1CCN(C2CCNCC2)CC1)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.70
RAMP1 O60894 4/20 0.70
CALCA P06881 2/20 0.48
CYP3A4 P08684 6/20 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
SCHEMBL2167431 1.00 CALCRL (0.70) CALCRLRAMP1CALCACYP3A4
SCHEMBL2165719 0.96 CALCRL (0.71) CALCRLRAMP1CALCACYP3A4
SCHEMBL2165712 0.96 CALCRL (0.71) CALCRLRAMP1CALCACYP3A4
SCHEMBL13772851 0.95 CALCRL (0.67) CALCRLRAMP1CALCACYP3A4
SCHEMBL2164904 0.94 CALCRL (0.65) CALCRLRAMP1CALCACYP3A4
SCHEMBL2164888 0.94 CALCRL (0.69) CALCRLRAMP1CALCACYP3A4
SCHEMBL2164898 0.94 CALCRL (0.65) CALCRLRAMP1CALCACYP3A4
SCHEMBL2164895 0.94 CALCRL (0.69) CALCRLRAMP1CALCACYP3A4
SCHEMBL2164765 0.94 CALCRL (0.72) CALCRLRAMP1CALCACYP3A4
SCHEMBL2164774 0.94 CALCRL (0.72) CALCRLRAMP1CALCACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176836-A1 benzodiazepines; 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylic acid-{(R)-1-(4-amino-3-chloro-5-ethyl-benzyl)-2-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-2-oxo-ethyl}-amide; RUDOLF KLAUS 2008-07-24 US claimed
US-20080103134-A1 Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine RUDOLF KLAUS 2008-05-01 US claimed
US-20060142274-A1 Use of selected CGRP antagonists for combating menopausal hot flushes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US claimed
US-20060142273-A1 Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US claimed
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-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-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-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-20080176836-A1 benzodiazepines; 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylic acid-{(R)-1-(4-amino-3-chloro-5-ethyl-benzyl)-2-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-2-oxo-ethyl}-amide; RUDOLF KLAUS 2008-07-24 US disclosed
US-20080103134-A1 Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine RUDOLF KLAUS 2008-05-01 US disclosed
US-20080103134-A1 Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine RUDOLF KLAUS 2008-05-01 US disclosed
US-20080103134-A1 Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine RUDOLF KLAUS 2008-05-01 US disclosed
US-20070249592-A1 Use of selected CGRP antagonists in treatment and prevention of hot flushes in prostate cancer patients RUDOLF KLAUS 2007-10-25 US 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
US-20060142274-A1 Use of selected CGRP antagonists for combating menopausal hot flushes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US disclosed
US-20050234067-A1 Selected CGRP - antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (9 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-20080176836-A1 benzodiazepines; 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylic acid-{(R)-1-(4-amino-3-chloro-5-ethyl-benzyl)-2-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-2-oxo-ethyl}-amide; GABRA1, GABRA5, GABRA2 CALCRL 160/4885RAMP1 307/4885CALCA 233/4885
US-20080103134-A1 Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine SCN3A, HTR3A, BDKRB2 CALCRL 39/4885RAMP1 288/4885CALCA 32/4885
US-20050234067-A1 Selected CGRP - antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 90/4885CALCA 3/4885
US-20070249592-A1 Use of selected CGRP antagonists in treatment and prevention of hot flushes in prostate cancer patients CALCA, CALCB, BDKRB2 CALCRL 5/4885RAMP1 303/4885CALCA 1/4885
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 92/4885CALCA 3/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 92/4885CALCA 3/4885
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 92/4885CALCA 3/4885
US-20060142274-A1 Use of selected CGRP antagonists for combating menopausal hot flushes BDKRB2, CALCR, GRPR CALCRL 4/4885RAMP1 202/4885CALCA 6/4885
US-20060142273-A1 Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine SCN3A, HTR3A, BDKRB2 CALCRL 39/4885RAMP1 288/4885CALCA 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.