SCHEMBL5213113

SCHEMBL5213113

O=C(NC1CCC1)c1cnc(Nc2ccc(Cl)c(Cl)c2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.54
CYP1A2 P05177 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.43
CRHR1 P34998 4/20 0.43
MAPT P10636 1/20 0.43
HCRTR1 O43613 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
SCHEMBL5214293 0.87 CNR2 (0.70) CNR2CYP1A2MAPT
SCHEMBL5215950 0.86 CNR2 (0.56) CNR2MAPTHCRTR1
SCHEMBL5212174 0.85 CNR2 (0.74) CNR2CYP1A2
SCHEMBL5214601 0.85 CNR2 (0.55) CNR2MAPTHCRTR1
SCHEMBL5213951 0.84 CNR2 (0.65) CNR2CRHR1MAPT
SCHEMBL5212739 0.83 CNR2 (0.77) CNR2CYP1A2
SCHEMBL5214603 0.83 CNR2 (0.62) CNR2CYP1A2IRAK4MAPTHCRTR1
SCHEMBL5212556 0.83 CNR2 (0.70) CNR2CYP1A2
SCHEMBL5216176 0.83 CNR2 (0.72) CNR2CYP1A2MAPTHCRTR1
SCHEMBL5214858 0.82 CNR2 (0.78) CNR2CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP claimed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2006-10-26 US 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-20060240048-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 CNR2 1/4885CYP1A2 793/4885IRAK4 1243/4885

“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.