SCHEMBL973450

SCHEMBL973450

O=C(NN1CCCC1)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1OC(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.66
CNR2 P34972 3/20 0.56
ABCC4 O15439 1/20 0.56
MLNR O43193 1/20 0.56
ABCB11 O95342 1/20 0.56
CHRM2 P08172 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CYP2C9 P11712 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD1 P21728 1/20 0.56
TBXA2R P21731 1/20 0.56
SLC6A2 P23975 1/20 0.56
HRH2 P25021 1/20 0.56
HTR2A P28223 1/20 0.56
AGTR1 P30556 1/20 0.56
CCKAR P32238 1/20 0.56
CCKBR P32239 1/20 0.56
MC4R P32245 1/20 0.56
ABCC1 P33527 1/20 0.56

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
SCHEMBL972418 0.91 CNR1 (0.56) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL973872 0.91 CNR1 (0.57) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL973018 0.91 CNR1 (0.56) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL972336 0.91 CNR1 (0.69) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL971615 0.88 CNR1 (0.69) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL971257 0.87 CNR1 (0.71) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL972125 0.87 CNR1 (0.71) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL972395 0.84 CNR1 (0.70) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL974547 0.84 CNR1 (0.69) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL972515 0.84 CNR1 (0.75) CNR1CNR2ABCC4MLNRABCB11

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 2/4885ABCC4 1137/4885

“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.