SCHEMBL176729

SCHEMBL176729

O=C(NN1CCOCC1)c1nn(-c2cc(Cl)ccc2Cl)c2c1CCCCC2=Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.54
CNR1 P21554 12/20 0.53
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50

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
SCHEMBL176728 1.00 CNR2 (0.54) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL176677 0.94 CNR2 (0.63) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL176678 0.94 CNR2 (0.63) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL13871581 0.93 CNR2 (0.64) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL176442 0.92 CNR2 (0.61) CNR2CNR1CYP2C9GPR55
SCHEMBL176443 0.92 CNR2 (0.61) CNR2CNR1CYP2C9GPR55
SCHEMBL176783 0.91 CNR1 (0.59) CNR2CNR1
SCHEMBL176784 0.91 CNR1 (0.59) CNR2CNR1
SCHEMBL176716 0.89 CNR1 (0.66) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL257838 0.89 CNR2 (0.57) CNR2CNR1KDM4EMEN1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 US claimed
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP 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-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH CNR2 1/4885CNR1 2/4885KDM4E 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.