SCHEMBL4913779

SCHEMBL4913779

O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1nn(-c2ccc(F)cc2F)c2c1CCCCC2Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.46
CNR1 P21554 7/20 0.40
ALB P02768 1/20 0.40
IL2 P60568 1/20 0.40
CTSL P07711 1/20 0.38
CTSS P25774 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
SCHEMBL4225750 0.94 CNR2 (0.46) CNR2CNR1
SCHEMBL176444 0.92 CNR2 (0.43) CNR2CNR1CTSLCTSS
SCHEMBL4227116 0.90 CNR2 (0.44) CNR2CNR1
SCHEMBL3095724 0.87 CNR2 (0.44) CNR2CNR1CTSLCTSS
SCHEMBL4219559 0.87 CNR2 (0.40) CNR2CNR1ALBIL2CTSL
SCHEMBL4219477 0.87 CNR2 (0.46) CNR2CNR1
SCHEMBL177042 0.86 CNR2 (0.43) CNR2CNR1CTSLCTSS
SCHEMBL176569 0.85 CNR2 (0.65) CNR2CNR1
SCHEMBL176977 0.85 CNR2 (0.53) CNR2CNR1
SCHEMBL176530 0.84 CNR2 (0.56) CNR2CNR1

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 1/4885CNR1 2/4885ALB 3844/4885

“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.