SCHEMBL16105014

SCHEMBL16105014

Brc1cccc(CN2CCC(n3c(C4CCNC4)nc4ccccc43)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.49
OPRK1 P41145 3/20 0.49
OPRL1 P41146 3/20 0.49
OPRD1 P41143 2/20 0.49
MBTD1 Q05BQ5 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
CHRM1 P11229 1/20 0.43
HRH1 P35367 1/20 0.43
MAOB P27338 1/20 0.42
HTR6 P50406 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
AKT1 P31749 1/20 0.40
DRD4 P21917 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
MCHR1 Q99705 1/20 0.38

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
SCHEMBL16105013 1.00 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1MBTD1
SCHEMBL16127791 0.89 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL17512053 0.89 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL16127795 0.89 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL16128200 0.89 OPRM1 (0.54) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL17512034 0.89 OPRM1 (0.54) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL17512068 0.89 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL16100832 0.87 HDAC1 (0.45) OPRM1OPRK1OPRL1OPRD1MBTD1
SCHEMBL16100833 0.87 HDAC1 (0.45) OPRM1OPRK1OPRL1OPRD1MBTD1
SCHEMBL17512062 0.86 OPRL1 (0.51) OPRM1OPRK1OPRL1OPRD1CHRM1

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 4 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-20160052913-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-02-25 US disclosed
EP-2976077-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS The Scripps Research Institute (US) 2016-01-27 EP 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 3/4885OPRK1 2/4885OPRL1 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.