SCHEMBL970650

SCHEMBL970650

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.52
CNR1 P21554 10/20 0.51
CYP19A1 P11511 1/20 0.50
PDE4A P27815 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CNR2 P34972 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
SCHEMBL700719 0.88 CNR1 (0.58) PDE4BCNR1CYP19A1CNR2
SCHEMBL5459470 0.87 PDE4B (0.47) PDE4BCNR1CYP19A1PDE4APDE4C
SCHEMBL5484151 0.87 PDE4B (0.54) PDE4BCNR1CYP19A1PDE4APDE4C
SCHEMBL974512 0.87 PDE4B (0.54) PDE4BCNR1CYP19A1PDE4APDE4C
SCHEMBL5463050 0.86 PDE4B (0.47) PDE4BCNR1CYP19A1PDE4APDE4C
SCHEMBL973340 0.86 CNR1 (0.55) CNR1
SCHEMBL4816797 0.86 PDE4B (0.53) PDE4BCNR1CYP19A1PDE4APDE4C
SCHEMBL4695480 0.86 PDE4B (0.53) PDE4BCNR1CYP19A1PDE4APDE4C
SCHEMBL972018 0.85 CNR1 (0.51) CNR1
SCHEMBL972012 0.85 CNR1 (0.51) CNR1

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 PDE4B 1102/4885CNR1 1/4885CYP19A1 854/4885

“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.