SCHEMBL1700324

SCHEMBL1700324

CN1CCC(n2c(=O)[nH]c3ncccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 15/20 0.56
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
OPRL1 P41146 1/20 0.55
TNKS O95271 2/20 0.54
TNKS2 Q9H2K2 1/20 0.54
DRD2 P14416 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL15205127 0.89 TNKS (0.61) CALCRLOPRM1OPRD1OPRK1OPRL1
SCHEMBL12655389 0.86 OPRM1 (0.55) CALCRLOPRM1OPRD1OPRK1OPRL1
SCHEMBL12402801 0.86 CALCRL (0.55) CALCRLOPRM1OPRD1OPRK1OPRL1
SCHEMBL13351308 0.86 OPRM1 (0.55) CALCRLOPRM1OPRD1OPRK1OPRL1
SCHEMBL14046378 0.86 DRD2 (0.56) CALCRLOPRM1OPRD1OPRK1OPRL1
SCHEMBL12372810 0.86 OPRM1 (0.52) CALCRLOPRM1OPRD1OPRK1OPRL1
SCHEMBL13380149 0.86 CALCRL (0.56) CALCRLOPRM1OPRD1OPRK1OPRL1
SCHEMBL16456308 0.85 TNKS (0.58) CALCRLOPRM1OPRD1OPRK1OPRL1
SCHEMBL12087688 0.85 CALCRL (0.61) CALCRLTNKS
SCHEMBL13036892 0.85 OPRM1 (0.65) CALCRLOPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
US-20240208966-A1 PROCESS FOR THE SYNTHESIS OF 1,3-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-2-ONE AND/OR DERIVATIVES THEREOF SIEGFRIED AG (CH) 2024-06-27 US disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8796260-B2 Imidazobenzazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-08-05 US disclosed
US-20140128375-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2014-05-08 US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 US disclosed
WO-2010020628-A1 NOVEL PRODUCTION METHOD FOR L-PIPERIDINE-4-YL-1,3-DIHYDRO-IMIDAZO [4,5-B] PYRIDINE-2-ONE AND MONO- AND DIHYDROCHLORIDES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 WO 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 (3 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 CALCRL 501/4885OPRM1 151/4885OPRD1 456/4885
US-20140128375-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL CALCRL 3/4885OPRM1 88/4885OPRD1 109/4885
US-20240208966-A1 PROCESS FOR THE SYNTHESIS OF 1,3-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-2-ONE AND/OR DERIVATIVES THEREOF PDXK, CYP1B1, CYP2F1 CALCRL 2434/4885OPRM1 1412/4885OPRD1 1425/4885

“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.