SCHEMBL4150713

SCHEMBL4150713

CC(c1nc2ccccc2[nH]1)N1CCC(O)(c2ccc(Br)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.50
OPRM1 P35372 9/20 0.50
OPRD1 P41143 9/20 0.50
OPRK1 P41145 9/20 0.50
IDO1 P14902 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
MAPT P10636 1/20 0.41
CCR1 P32246 1/20 0.41
MLKL Q8NB16 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 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
SCHEMBL4148419 0.89 OPRM1 (0.50) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL28722124 0.76 MAPT (0.52) IDO1MAPTMLKLTAAR1ALDH1A1
SCHEMBL4933877 0.75 BCHE (0.53) IDO1MAPTMLKLTAAR1ALDH1A1
SCHEMBL4155864 0.74 MAPT (0.46) OPRL1OPRM1OPRD1IDO1MAPT
SCHEMBL4929684 0.74 MAPT (0.50) IDO1MAPTMLKLTAAR1ALDH1A1
SCHEMBL23901648 0.72 OPRL1 (0.63) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL5329879 0.68 IDO1 (0.46) IDO1MAPTMLKLTAAR1ALDH1A1
SCHEMBL17494004 0.67 PIM1 (0.42) OPRM1MAPTALDH1A1
SCHEMBL5321876 0.66 TAAR1 (0.48) IDO1MAPTMLKLTAAR1ALDH1A1
SCHEMBL19491063 0.65 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1DRD2

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-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US claimed
EP-2004613-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-12-24 EP claimed
WO-2007115077-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-10-11 WO claimed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 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-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 OPRL1 96/4885OPRM1 141/4885OPRD1 106/4885

“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.