SCHEMBL300496

SCHEMBL300496

O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2Cc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.49
CNR1 P21554 8/20 0.42
NHERF1 O14745 1/20 0.40
CTSL P07711 1/20 0.38
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
ITGB7 P26010 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
SCHEMBL4227116 0.94 CNR2 (0.44) CNR2CNR1NHERF1ITGB1
SCHEMBL4223961 0.93 CNR2 (0.49) CNR2CNR1ITGB1
SCHEMBL176390 0.92 CNR2 (0.46) CNR2CNR1
SCHEMBL4904888 0.91 CNR2 (0.46) CNR2CNR1NHERF1
SCHEMBL4219477 0.90 CNR2 (0.46) CNR2CNR1ITGB1
SCHEMBL4912464 0.88 CNR2 (0.48) CNR2CNR1
SCHEMBL176498 0.87 CNR2 (0.56) CNR2CNR1
SCHEMBL176665 0.87 CNR1 (0.42) CNR2CNR1CTSL
SCHEMBL13745101 0.87 CNR1 (0.42) CNR2CNR1CTSL
SCHEMBL176387 0.85 CNR2 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 US claimed
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 (2 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-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS CNR2, CNR1, FAAH CNR2 1/4885CNR1 2/4885NHERF1 1953/4885
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH CNR2 1/4885CNR1 2/4885NHERF1 1953/4885

“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.