SCHEMBL973098

SCHEMBL973098

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.48
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PDE4B Q07343 3/20 0.45
LPAR5 Q9H1C0 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL972697 0.86 PDE4B (0.49) CNR1CNR2ALDH1A1NPSR1PDE4B
SCHEMBL4822288 0.85 PDE4B (0.48) CNR1CNR2ALDH1A1NPSR1PDE4B
SCHEMBL4694446 0.83 PDE4B (0.47) CNR1CNR2ALDH1A1NPSR1PDE4B
SCHEMBL970947 0.83 CNR1 (0.49) CNR1CNR2LPAR5
SCHEMBL973018 0.80 CNR1 (0.56) CNR1CNR2CYP2C9
SCHEMBL970650 0.79 PDE4B (0.52) CNR1CNR2ALDH1A1NPSR1PDE4B
SCHEMBL4693580 0.78 CNR1 (0.45) CNR1CNR2ALDH1A1NPSR1PDE4B
SCHEMBL970978 0.77 TRPV1 (0.50) CNR1CNR2
SCHEMBL973880 0.77 CNR1 (0.49) CNR1CNR2LPAR5
SCHEMBL973811 0.76 CNR1 (0.49) CNR1CNR2LPAR5

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 2/4885ALDH1A1 1631/4885

“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.