SCHEMBL971988

SCHEMBL971988

COc1c(C(=O)NN2CCC(F)(F)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.57
CNR2 P34972 7/20 0.54
CYP2C9 P11712 2/20 0.54
GPR55 Q9Y2T6 2/20 0.54
ABCC4 O15439 1/20 0.54
MLNR O43193 1/20 0.54
ABCB11 O95342 1/20 0.54
CHRM2 P08172 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 1/20 0.54
SLC6A2 P23975 1/20 0.54
HRH2 P25021 1/20 0.54
HTR2A P28223 1/20 0.54
AGTR1 P30556 1/20 0.54
CCKAR P32238 1/20 0.54
CCKBR P32239 1/20 0.54
MC4R P32245 1/20 0.54

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
SCHEMBL971360 0.90 CNR1 (0.49) CNR1CNR2
SCHEMBL971858 0.89 CNR2 (0.67) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL973337 0.85 CNR1 (0.59) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL972417 0.83 CNR1 (0.77) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL970687 0.82 CNR2 (0.57) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL28084167 0.82 CNR1 (0.62) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL971377 0.81 CNR1 (0.57) CNR1CNR2CYP2C9GPR55ABCC4
Hydrochloric Acid SCHEMBL3999239 0.81 CNR1 (0.79) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL970896 0.81 CNR1 (0.64) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL974370 0.81 CNR2 (0.78) CNR1CNR2CYP2C9GPR55ABCC4

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 8 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
EP-1951678-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-06 EP disclosed
WO-2007046550-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 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 (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 2/4885CYP2C9 218/4885

“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.