SCHEMBL16127804

SCHEMBL16127804

c1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(Cc2ccc3cn[nH]c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.47
AKT2 P31751 3/20 0.47
AKT3 Q9Y243 2/20 0.47
OPRM1 P35372 4/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
OPRL1 P41146 2/20 0.47
HRH1 P35367 2/20 0.43
CHRM1 P11229 1/20 0.43
MCHR1 Q99705 1/20 0.40
ROCK2 O75116 3/20 0.39
CCR2 P41597 2/20 0.39
ROCK1 Q13464 2/20 0.39
GRIN2B Q13224 1/20 0.39
DRD4 P21917 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL17512055 1.00 AKT1 (0.47) AKT1AKT2AKT3OPRM1OPRD1
SCHEMBL17512062 0.87 OPRL1 (0.51) AKT1AKT2AKT3OPRM1OPRD1
SCHEMBL16127805 0.87 OPRL1 (0.51) AKT1AKT2AKT3OPRM1OPRD1
SCHEMBL16101186 0.84 OPRM1 (0.47) AKT1AKT2AKT3OPRM1OPRD1
SCHEMBL16101183 0.84 OPRM1 (0.47) AKT1AKT2AKT3OPRM1OPRD1
SCHEMBL17512053 0.84 OPRM1 (0.55) AKT1AKT2AKT3OPRM1OPRD1
SCHEMBL16127791 0.84 OPRM1 (0.55) AKT1AKT2AKT3OPRM1OPRD1
SCHEMBL16102881 0.82 OPRM1 (0.52) AKT1AKT2AKT3OPRM1OPRD1
SCHEMBL16102880 0.82 OPRM1 (0.52) AKT1AKT2AKT3OPRM1OPRD1
SCHEMBL16100838 0.81 OPRM1 (0.49) AKT1OPRM1OPRD1OPRK1OPRL1

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-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 AKT1 3067/4885AKT2 3294/4885AKT3 2805/4885

“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.