SCHEMBL4649002

SCHEMBL4649002

Fc1cc(F)cc(Nc2ccc(CNCC3CCOCC3)c(C3CC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP1A2 P05177 2/20 0.44
MAP4K4 O95819 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 3/20 0.35
KCNH3 Q9ULD8 1/20 0.35
CYP3A4 P08684 2/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL14065126 0.83 CNR2 (0.42) CNR2CYP2D6CYP2C19CYP1A2MAP4K4
SCHEMBL4649753 0.83 CNR2 (0.53) CNR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL4649611 0.82 CNR2 (0.54) CNR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL4648713 0.82 CNR2 (0.54) CNR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL4648968 0.81 CNR2 (0.58) CNR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL4925012 0.67 CNR2 (0.82) CNR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL4648729 0.65 CNR2 (0.69) CNR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL4936005 0.65 CNR2 (0.71) CNR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL4649634 0.65 CNR2 (0.70) CNR2CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL4650498 0.65 CNR2 (0.70) CNR2CYP2D6CYP2C19CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1718613-B1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed
EP-1718613-B1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-09-03 EP 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-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators CNR2, CNR1, TRPV1 CNR2 1/4885CYP2D6 395/4885CYP2C19 329/4885

“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.