SCHEMBL17512062

SCHEMBL17512062

c1ccc2cc(CN3CCC(n4c(C5CCNC5)nc5ccccc54)CC3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.51
OPRM1 P35372 5/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
ACHE P22303 1/20 0.47
CHRM1 P11229 2/20 0.47
HRH1 P35367 2/20 0.47
HTR3A P46098 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
AKT1 P31749 2/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41

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
SCHEMBL16127805 1.00 OPRL1 (0.51) OPRL1OPRM1OPRD1OPRK1ACHE
SCHEMBL17512053 0.89 OPRM1 (0.55) OPRL1OPRM1OPRD1OPRK1CHRM1
SCHEMBL16127791 0.89 OPRM1 (0.55) OPRL1OPRM1OPRD1OPRK1CHRM1
SCHEMBL16100837 0.88 OPRM1 (0.49) OPRL1OPRM1OPRD1OPRK1CHRM1
SCHEMBL16100838 0.88 OPRM1 (0.49) OPRL1OPRM1OPRD1OPRK1CHRM1
SCHEMBL16127804 0.87 AKT1 (0.47) OPRL1OPRM1OPRD1OPRK1CHRM1
SCHEMBL17512055 0.87 AKT1 (0.47) OPRL1OPRM1OPRD1OPRK1CHRM1
SCHEMBL16102881 0.87 OPRM1 (0.52) OPRL1OPRM1OPRD1OPRK1ACHE
SCHEMBL16102880 0.87 OPRM1 (0.52) OPRL1OPRM1OPRD1OPRK1ACHE
SCHEMBL17512034 0.86 OPRM1 (0.54) OPRL1OPRM1OPRD1OPRK1CHRM1

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 2 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

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 OPRL1 1/4885OPRM1 3/4885OPRD1 4/4885

“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.