SCHEMBL4598963

SCHEMBL4598963

Cc1c(C(=O)NC2CCCCC2O)nn(-c2cccc(C#N)c2)c1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.52
CNR2 P34972 2/20 0.41
SCN9A Q15858 4/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
RIPK1 Q13546 1/20 0.36
CHRM1 P11229 1/20 0.36
KLKB1 P03952 1/20 0.35

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
SCHEMBL4886146 0.91 CNR1 (0.52) CNR1CNR2SCN9ACHRM1
SCHEMBL4886166 0.91 CNR1 (0.52) CNR1CNR2SCN9ACHRM1
SCHEMBL4632440 0.87 CNR1 (0.46) CNR1CNR2CA1CA2RIPK1
SCHEMBL4599472 0.84 CNR1 (0.52) CNR1CNR2
SCHEMBL4796011 0.84 CNR1 (0.36) CNR1CNR2CA1CA2KLKB1
SCHEMBL4885390 0.83 CNR1 (0.57) CNR1CNR2
SCHEMBL4894758 0.83 CNR1 (0.57) CNR1CNR2
SCHEMBL4891882 0.83 CNR1 (0.57) CNR1CNR2
SCHEMBL4637589 0.82 CNR1 (0.69) CNR1SCN9A
SCHEMBL4890606 0.82 CNR1 (0.61) CNR1CNR2

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-20080287517-A1 Pyrazole Derivatives as Cb1 Modulators ASTRAZENECA AB (SE) 2008-11-20 US claimed
EP-1910331-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS AstraZeneca AB (SE) 2008-04-16 EP claimed
WO-2007010217-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS ASTRAZENECA AB (SE) 2007-01-25 WO claimed
US-20080287517-A1 Pyrazole Derivatives as Cb1 Modulators ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1910331-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007010217-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS ASTRAZENECA AB (SE) 2007-01-25 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-20080287517-A1 Pyrazole Derivatives as Cb1 Modulators CNR1, CNR2, HTR3C CNR1 1/4885CNR2 2/4885SCN9A 793/4885

“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.