SCHEMBL176717

SCHEMBL176717

O=C(NN1CCOCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2=Cc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.66
CNR2 P34972 11/20 0.66
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55

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
SCHEMBL176716 1.00 CNR1 (0.66) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL13871590 0.99 CNR1 (0.65) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL176678 0.95 CNR2 (0.63) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL176677 0.95 CNR2 (0.63) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL13871581 0.94 CNR2 (0.64) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL3157487 0.93 CNR1 (0.69) CNR1CNR2
SCHEMBL3157484 0.93 CNR1 (0.69) CNR1CNR2
SCHEMBL176646 0.93 CNR1 (0.69) CNR1CNR2
SCHEMBL176647 0.93 CNR1 (0.69) CNR1CNR2
SCHEMBL257838 0.92 CNR2 (0.57) CNR1CNR2KDM4EMEN1CYP1A2

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 6 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-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 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
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP disclosed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 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-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH CNR1 2/4885CNR2 1/4885KDM4E 1510/4885
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators CNR2, CNR1, FAAH CNR1 2/4885CNR2 1/4885KDM4E 1510/4885

“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.