SCHEMBL16128200

SCHEMBL16128200

Clc1cccc(CN2CCC(n3c([C@@H]4CCNC4)nc4ccccc43)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.54
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRL1 P41146 2/20 0.49
DRD2 P14416 6/20 0.48
DRD4 P21917 6/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM1 P11229 1/20 0.46
HRH1 P35367 1/20 0.46
MAOB P27338 3/20 0.45
HTR6 P50406 3/20 0.45
DRD3 P35462 5/20 0.45
GRM2 Q14416 1/20 0.45

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
SCHEMBL17512034 1.00 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL17512053 0.91 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL16127791 0.91 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL16105014 0.89 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1DRD4
SCHEMBL16105013 0.89 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1DRD4
SCHEMBL17512068 0.89 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL16127795 0.89 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL16128136 0.87 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL17512140 0.87 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL16127805 0.86 OPRL1 (0.51) OPRM1OPRD1OPRK1OPRL1CHRM1

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 3/4885OPRD1 4/4885OPRK1 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.