SCHEMBL3467155

SCHEMBL3467155

O=C(O)c1nn(Cc2ccccc2)c2c1CCCCC2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HCAR2 Q8TDS4 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
FABP4 P15090 3/20 0.37
FABP3 P05413 1/20 0.37
PTGER4 P35408 1/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL177139 0.85 KMT2A (0.54) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL176709 0.85 CNR1 (0.43) ALDH1A1SMN1; SMN2SIGMAR1CNR1CNR2
SCHEMBL13889389 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2CNR1
SCHEMBL176699 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1PTGER4POLB
SCHEMBL13871552 0.81 CNR1 (0.43) ALDH1A1SMN1; SMN2SIGMAR1CNR1CNR2
SCHEMBL13889471 0.81 CNR1 (0.43) ALDH1A1SMN1; SMN2SIGMAR1CNR1CNR2
SCHEMBL13871545 0.80 CNR1 (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL13871668 0.80 ALDH1A1 (0.45) MEN1KMT2AALDH1A1PTGER4POLB
SCHEMBL13871616 0.80 CNR1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2CCNA2
SCHEMBL177062 0.79 PTGER4 (0.53) MEN1KMT2AFABP4PTGER4CNR2

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 18 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 claimed
EP-2139328-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-01-06 EP claimed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 US claimed
JP-2009508953-A 2009-03-05 JP claimed
WO-2008115705-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-25 WO claimed
EP-1937259-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP claimed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 US claimed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 US claimed
WO-2007038036-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-05 WO 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-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
EP-2139328-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-01-06 EP disclosed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 US disclosed
WO-2008115705-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-25 WO disclosed
EP-1937259-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 US disclosed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 US disclosed
WO-2007038036-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-05 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-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS CNR2, CNR1, FAAH MEN1 4260/4885KMT2A 2346/4885HCAR2 11/4885
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH MEN1 4260/4885KMT2A 2346/4885HCAR2 11/4885
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators CNR2, CNR1, FAAH MEN1 4260/4885KMT2A 2346/4885HCAR2 11/4885

“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.