SCHEMBL3285492

SCHEMBL3285492

CCc1ccc(C[C@@H](NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc1CC

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.61
CYP3A4 P08684 18/20 0.61

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
SCHEMBL3278986 0.98 CALCRL (0.62) CALCRLCYP3A4
SCHEMBL3278818 0.97 CALCRL (0.62) CALCRLCYP3A4
Fumaric Acid SCHEMBL4478815 0.96 CALCRL (0.57) CALCRLCYP3A4
Maleic Acid SCHEMBL3282935 0.96 CALCRL (0.57) CALCRLCYP3A4
SCHEMBL3278165 0.95 CALCRL (0.63) CALCRLCYP3A4
SCHEMBL3281940 0.95 CALCRL (0.60) CALCRLCYP3A4
SCHEMBL3285322 0.95 CALCRL (0.56) CALCRLCYP3A4
SCHEMBL3278333 0.94 CALCRL (0.60) CALCRLCYP3A4
SCHEMBL3278380 0.94 CALCRL (0.60) CALCRLCYP3A4
SCHEMBL3284510 0.94 CALCRL (0.56) CALCRLCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US claimed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US claimed
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-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 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-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US claimed
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-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 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-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 disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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 (7 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 160/4885CYP3A4 444/4885
US-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA CALCRL 1/4885CYP3A4 2631/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA CALCRL 1/4885CYP3A4 2631/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA CALCRL 4/4885CYP3A4 2140/4885
US-20080103134-A1 Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine SCN3A, HTR3A, BDKRB2 CALCRL 39/4885CYP3A4 3006/4885
US-20060142274-A1 Use of selected CGRP antagonists for combating menopausal hot flushes BDKRB2, CALCR, GRPR CALCRL 4/4885CYP3A4 2927/4885
US-20060142273-A1 Use of selected CGRP-antagonists in combination with other antimigraine drugs for the treatment of migraine SCN3A, HTR3A, BDKRB2 CALCRL 39/4885CYP3A4 3006/4885

“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.