SCHEMBL4909261

SCHEMBL4909261

O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
CNR1 P21554 1/20 0.39
GPR132 Q9UNW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGB1 P05556 2/20 0.37
ITGAV P06756 2/20 0.37
ITGA5 P08648 2/20 0.37
POLB P06746 1/20 0.36
TLR3 O15455 1/20 0.36
GPR34 Q9UPC5 1/20 0.35

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
SCHEMBL4219559 0.95 CNR2 (0.40) CNR2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL4209660 0.93 OPRM1 (0.40) CNR2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL176478 0.92 CNR2 (0.38) CNR2ITGA4ITGB7
SCHEMBL4210979 0.90 MME (0.39) CNR2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL176718 0.87 NLRP3 (0.41) CNR2ITGA4ITGB7
SCHEMBL176597 0.86 CNR2 (0.55) CNR2ALDH1A1
SCHEMBL176638 0.85 CNR2 (0.48) CNR2CNR1ALDH1A1
SCHEMBL176620 0.85 CNR2 (0.48) CNR2CNR1ALDH1A1
SCHEMBL4219477 0.84 CNR2 (0.46) CNR2CNR1ITGB1ITGA5
SCHEMBL3469275 0.84 FABP4 (0.41) CNR2ALDH1A1

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-8378117-B2 1-(4-fluoro-phenyl)-8-(4-methyl-benzyl)-1,4,5,6,7,8-hexahydro-cycloheptapyrazole-3-carboxylic acid (1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amide; antidepressant, anxiolytic; nervous system disorders, metabolic disorders, obesity JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 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-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH CNR2 1/4885OPRM1 39/4885OPRD1 45/4885

“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.