SCHEMBL13313600

SCHEMBL13313600

CN1CCC(N2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.57
▸ CREBBP Q92793 1/20 0.57
▸ CALCRL Q16602 8/20 0.53
▸ CHRM2 P08172 1/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ CTSS P25774 8/20 0.51
▸ RAMP1 O60894 3/20 0.50
▸ CHRM4 P08173 1/20 0.49
▸ CHRM1 P11229 1/20 0.49

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
SCHEMBL2872824 0.89 BRD4 (0.56) BRD4CREBBPCALCRLCTSSRAMP1
SCHEMBL12400687 0.87 CHRM4 (0.50) BRD4CREBBPCALCRLCTSSRAMP1
SCHEMBL1700379 0.87 CHRM2 (0.50) BRD4CREBBPCALCRLCHRM2CHRM3
SCHEMBL14410174 0.86 CALCRL (0.54) BRD4CREBBPCALCRLCTSSRAMP1
SCHEMBL14098799 0.86 CHRM4 (0.56) CALCRLCTSSCHRM4CHRM1
SCHEMBL14501011 0.86 CALCRL (0.52) BRD4CREBBPCALCRLCTSSRAMP1
SCHEMBL13078005 0.86 BRD4 (0.53) BRD4CREBBPCALCRLCTSSRAMP1
SCHEMBL5695088 0.85 CALCRL (0.49) BRD4CREBBPCALCRLCTSSRAMP1
SCHEMBL5695086 0.84 CHRM4 (0.48) BRD4CREBBPCALCRLCTSSRAMP1
SCHEMBL2100919 0.83 BRD4 (0.50) BRD4CREBBPCALCRLCTSSRAMP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 — — EP disclosed
US-9663469-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-9663469-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-20160318870-A1 RORy MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-03 — — US disclosed
US-20160318870-A1 RORy MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-03 — — US disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 — — US disclosed
WO-2015035278-A1 RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-12 — — WO disclosed
CN-1812982-B Benzodiazepine CGRP receptor antagonists MERCK & CO INC 2010-10-27 — — CN disclosed
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 — — US disclosed
US-7696209-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 — — US disclosed
US-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 — — US disclosed
US-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 — — US disclosed
US-20080280887-A1 Selected Cgrp-Antagonists, Processes for Preparing Them and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 — — US disclosed
CN-1812982-A Benzodiazepine cgrp receptor antagonists MERCK & CO INC (US) 2006-08-02 — — CN 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-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA BRD4 2282/4885CREBBP 2225/4885CALCRL 1/4885
US-20160318870-A1 RORy MODULATORS RORB, RORC, RORA BRD4 2572/4885CREBBP 448/4885CALCRL 787/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA BRD4 2232/4885CREBBP 1991/4885CALCRL 1/4885
US-20080280887-A1 Selected Cgrp-Antagonists, Processes for Preparing Them and Their Use as Pharmaceutical Compositions CALCRL, CALCR, BDKRB2 BRD4 1387/4885CREBBP 1986/4885CALCRL 1/4885

“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.

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