SCHEMBL2103739

SCHEMBL2103739

O=C(O)N1CCC(N2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.58
CHRM4 P08173 1/20 0.58
RAMP1 O60894 9/20 0.57

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
SCHEMBL30231301 1.00 CALCRL (0.58) CALCRLCHRM4RAMP1
SCHEMBL2087424 0.88 CALCRL (0.55) CALCRLCHRM4RAMP1
SCHEMBL29872644 0.88 CALCRL (0.54) CALCRLCHRM4RAMP1
SCHEMBL3237433 0.88 CHRM4 (0.57) CALCRLCHRM4RAMP1
SCHEMBL13762761 0.88 CALCRL (0.54) CALCRLCHRM4RAMP1
SCHEMBL17870757 0.86 CALCRL (0.63) CALCRLCHRM4RAMP1
SCHEMBL6220314 0.85 CALCRL (0.60) CALCRLCHRM4RAMP1
SCHEMBL31238987 0.85 CALCRL (0.52) CALCRLCHRM4RAMP1
SCHEMBL12655359 0.85 CALCRL (0.62) CALCRLCHRM4RAMP1
SCHEMBL12622791 0.85 CALCRL (0.56) CALCRLCHRM4RAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO claimed
WO-2023034466-A1 CGRP ANTAGONISTS FOR TREATING PSORIASIS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP claimed
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US claimed
CN-100558428-C Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2009-11-11 CN claimed
CN-100558728-C Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2009-11-11 CN claimed
US-7569578-B2 Heterocyclic anti-migraine agents BRISTOL-MEYERS SQUIBB COMPANY (US) 2009-08-04 US claimed
US-7384931-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US claimed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP claimed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 US claimed
CN-1708492-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN claimed
CN-1671711-A Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2005-09-21 CN claimed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO claimed
US-20050153959-A1 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US claimed
WO-2005056550-A2 HETEROCYCLIC ANTI-MIGRAINE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-23 WO claimed
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP claimed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CALCRL 1/4885CHRM4 555/4885RAMP1 88/4885
US-20050153959-A1 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache CALCRL, CALCA, BDKRB2 CALCRL 1/4885CHRM4 421/4885RAMP1 262/4885
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885CHRM4 269/4885RAMP1 84/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885CHRM4 269/4885RAMP1 84/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CALCRL 1/4885CHRM4 555/4885RAMP1 88/4885

“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.