SCHEMBL13745101

SCHEMBL13745101

COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC[C@H]2Cc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.42
CNR2 P34972 9/20 0.41
CDK2 P24941 4/20 0.39
NLRP3 Q96P20 1/20 0.38
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
SCHEMBL176665 1.00 CNR1 (0.42) CNR1CNR2CDK2NLRP3CTSL
SCHEMBL176662 0.96 CNR1 (0.45) CNR1CNR2
SCHEMBL176648 0.96 CNR1 (0.45) CNR1CNR2
SCHEMBL176390 0.94 CNR2 (0.46) CNR1CNR2CDK2NLRP3
SCHEMBL176961 0.93 CNR1 (0.44) CNR1CNR2CDK2NLRP3
SCHEMBL13745542 0.93 CNR1 (0.44) CNR1CNR2CDK2NLRP3
SCHEMBL176387 0.92 CNR2 (0.46) CNR1CNR2
SCHEMBL4227116 0.92 CNR2 (0.44) CNR1CNR2
SCHEMBL176444 0.90 CNR2 (0.43) CNR1CNR2NLRP3CTSLCTSS
SCHEMBL176542 0.90 CNR1 (0.46) CNR1CNR2

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-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 US disclosed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 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-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS CNR2, CNR1, FAAH CNR1 2/4885CNR2 1/4885CDK2 2461/4885

“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.