SCHEMBL16100833

SCHEMBL16100833

Brc1ccc2c(c1)nc(C1CCNC1)n2C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
OPRM1 P35372 6/20 0.43
OPRK1 P41145 3/20 0.43
OPRL1 P41146 3/20 0.43
OPRD1 P41143 2/20 0.43
ALDH1A1 P00352 1/20 0.41
BRD4 O60885 1/20 0.41
DRD4 P21917 4/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRM1 P11229 2/20 0.40
HRH1 P35367 1/20 0.40
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
AKT3 Q9Y243 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
SCHEMBL16100832 1.00 HDAC1 (0.45) HDAC1OPRM1OPRK1OPRL1OPRD1
SCHEMBL16128201 0.88 ALDH1A1 (0.55) HDAC1OPRM1OPRK1OPRL1OPRD1
SCHEMBL16102847 0.88 DRD2 (0.46) HDAC1OPRM1OPRK1OPRL1OPRD1
SCHEMBL16102848 0.88 DRD2 (0.46) HDAC1OPRM1OPRK1OPRL1OPRD1
SCHEMBL17512052 0.88 ALDH1A1 (0.55) HDAC1OPRM1OPRK1OPRL1OPRD1
SCHEMBL16127791 0.88 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1DRD4
SCHEMBL17512053 0.88 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1DRD4
SCHEMBL16105014 0.87 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1DRD4
SCHEMBL16105013 0.87 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1DRD4
SCHEMBL17512086 0.86 TRPV4 (0.43) HDAC1OPRM1OPRK1OPRL1OPRD1

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 HDAC1 898/4885OPRM1 3/4885OPRK1 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.