SCHEMBL973207

SCHEMBL973207

COCCOc1c(C(=O)NN2CCOCC2)nn(-c2ccccc2Cl)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.58
CNR2 P34972 3/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47

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
SCHEMBL972369 0.93 CNR1 (0.55) CNR1
SCHEMBL969992 0.91 CNR1 (0.60) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL970835 0.84 CNR1 (0.71) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL971377 0.83 CNR1 (0.57) CNR1CNR2CYP2C9GPR55
SCHEMBL972355 0.83 CNR1 (0.68) CNR1CNR2CYP2C9GPR55
SCHEMBL970602 0.82 CNR1 (0.72) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL971858 0.82 CNR2 (0.67) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL970687 0.81 CNR2 (0.57) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL971360 0.81 CNR1 (0.49) CNR1CNR2
SCHEMBL972769 0.81 CNR1 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US claimed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 US claimed
EP-1951678-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-06 EP claimed
WO-2007046550-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO claimed
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 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-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity CNR1, CNR2, OPRD1 CNR1 1/4885CNR2 2/4885KDM4E 2168/4885

“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.