SCHEMBL394502

SCHEMBL394502

O=C(O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC/C2=C\c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.71
CNR2 P34972 11/20 0.71
MARS1 P56192 1/20 0.45

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
SCHEMBL394503 1.00 CNR1 (0.71) CNR1CNR2MARS1
SCHEMBL177054 0.99 CNR1 (0.72) CNR1CNR2MARS1
SCHEMBL257390 0.99 CNR1 (0.72) CNR1CNR2MARS1
SCHEMBL4702795 0.97 CNR1 (0.69) CNR1CNR2MARS1
SCHEMBL5416714 0.97 CNR1 (0.69) CNR1CNR2MARS1
SCHEMBL4702793 0.97 CNR1 (0.69) CNR1CNR2MARS1
SCHEMBL643914 0.93 CNR1 (0.64) CNR1CNR2MARS1
SCHEMBL643913 0.93 CNR1 (0.64) CNR1CNR2MARS1
SCHEMBL4911344 0.93 CNR1 (0.63) CNR1CNR2
SCHEMBL4213970 0.93 CNR1 (0.63) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851498-B2 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-12-14 US claimed
US-7825151-B2 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US claimed
EP-1931335-B1 HEXAHYDRO CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-02-24 EP claimed
EP-1931335-A1 HEXAHYDRO CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-18 EP claimed
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US claimed
US-20070129417-A1 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-07 US claimed
WO-2007044215-A1 HEXAHYDRO CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-19 WO claimed
US-8101592-B2 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2012-01-24 US disclosed
US-8101592-B2 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2012-01-24 US disclosed
US-8101592-B2 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2012-01-24 US disclosed
US-20100317633-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 US disclosed
US-20100317633-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 US disclosed
US-20100317633-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 US disclosed
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
US-20070129417-A1 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-07 US disclosed
US-20070129417-A1 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-07 US disclosed
US-20070129417-A1 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-07 US disclosed
WO-2007044215-A1 HEXAHYDRO CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-19 WO disclosed
WO-2007044215-A1 HEXAHYDRO CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-19 WO 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 (3 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-20100317633-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885MARS1 4659/4885
US-20070129417-A1 Hexahydro-cyclooctyl pyrazole cannabinoid modulators CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885MARS1 4659/4885
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885MARS1 4659/4885

“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.