SCHEMBL16128232

SCHEMBL16128232

Clc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(CC2CCCCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.43
OPRL1 P41146 7/20 0.43
OPRK1 P41145 6/20 0.43
OPRD1 P41143 3/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
KCNH2 Q12809 4/20 0.38
MCHR1 Q99705 4/20 0.36
HTR3A P46098 1/20 0.36
CYP11B2 P19099 1/20 0.35
ALOX5 P09917 1/20 0.35
BACE1 P56817 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL17512024 1.00 OPRM1 (0.43) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL16128168 0.93 DRD2 (0.44) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL16101908 0.88 OPRM1 (0.46) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL16103694 0.88 CCR3 (0.46) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL16128133 0.88 CCR3 (0.46) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL16128141 0.88 OPRM1 (0.46) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL16103696 0.88 CCR3 (0.46) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL16127696 0.86 OPRL1 (0.58) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL17512028 0.86 OPRL1 (0.58) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL16098819 0.86 OPRL1 (0.58) OPRM1OPRL1OPRK1OPRD1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 US disclosed
US-20160052913-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-02-25 US disclosed
WO-2014153529-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-25 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 (1 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-20160052913-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS OPRL1, OPRK1, OPRM1 OPRM1 3/4885OPRL1 1/4885OPRK1 2/4885

“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.