SCHEMBL972368

SCHEMBL972368

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.62
CNR2 P34972 11/20 0.61
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL923181 0.90 CNR1 (0.61) CNR1CNR2GABRA2GABRB2KDM4E
SCHEMBL29838956 0.90 CNR2 (0.71) CNR1CNR2
SCHEMBL923180 0.90 CNR2 (0.71) CNR1CNR2
SCHEMBL923308 0.90 CNR1 (0.63) CNR1CNR2GABRA2GABRB2KDM4E
SCHEMBL5484151 0.89 PDE4B (0.54) CNR1CNR2
SCHEMBL974512 0.89 PDE4B (0.54) CNR1CNR2
SCHEMBL17163915 0.88 CNR1 (0.59) CNR1CNR2GABRA2GABRB2
SCHEMBL17163901 0.88 CNR2 (0.62) CNR1CNR2GABRA2GABRB2KDM4E
SCHEMBL2865960 0.88 CNR1 (0.61) CNR1CNR2GABRA2GABRB2KDM4E
SCHEMBL4193262 0.87 CNR1 (0.60) CNR1CNR2GABRA2GABRB2

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 4 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 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 2/4885GABRA2 287/4885

“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.