SCHEMBL972697

SCHEMBL972697

CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(C(F)(F)F)cc2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.49
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
CNR1 P21554 5/20 0.47
LPAR5 Q9H1C0 1/20 0.47
PDE4A P27815 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
CNR2 P34972 1/20 0.45
CYP19A1 P11511 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
ADORA1 P30542 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4822288 0.89 PDE4B (0.48) PDE4BALDH1A1NPSR1CNR1LPAR5
SCHEMBL974512 0.89 PDE4B (0.54) PDE4BALDH1A1NPSR1CNR1PDE4A
SCHEMBL5484151 0.89 PDE4B (0.54) PDE4BALDH1A1NPSR1CNR1PDE4A
SCHEMBL4694446 0.87 PDE4B (0.47) PDE4BALDH1A1NPSR1CNR1LPAR5
SCHEMBL973098 0.86 CNR1 (0.48) PDE4BALDH1A1NPSR1CNR1LPAR5
SCHEMBL4693580 0.81 CNR1 (0.45) PDE4BALDH1A1NPSR1CNR1LPAR5
SCHEMBL4910813 0.80 PDE4B (0.54) PDE4BALDH1A1NPSR1CNR1PDE4A
SCHEMBL4695480 0.79 PDE4B (0.53) PDE4BALDH1A1NPSR1CNR1PDE4A
SCHEMBL2869898 0.79 CNR1 (0.61) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL700719 0.79 CNR1 (0.58) PDE4BCNR1CNR2CYP19A1

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 1102/4885ALDH1A1 1631/4885NPSR1 68/4885

“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.