SCHEMBL4649773

SCHEMBL4649773

O=C(NCC1CCC1)c1cnc(Nc2ccc(F)c(Cl)c2)cc1C1CC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.71
CYP2D6 P10635 5/20 0.60
CYP2C9 P11712 5/20 0.60
CYP2C19 P33261 5/20 0.60
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 2/20 0.55

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
SCHEMBL4648987 0.98 CNR2 (0.71) CNR2CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4929017 0.92 CNR2 (0.85) CNR2CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4929672 0.91 CNR2 (0.84) CNR2CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4930113 0.90 CNR2 (0.79) CNR2CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4929688 0.89 CNR2 (0.84) CNR2CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4931515 0.89 CNR2 (0.65) CNR2CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4931076 0.89 CNR2 (0.71) CNR2CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4927503 0.87 CNR2 (0.62) CNR2CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4929732 0.87 CNR2 (0.71) CNR2CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4926798 0.87 CNR2 (0.71) CNR2CYP2D6CYP2C9CYP2C19CYP1A2

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 7 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
US-20080280952-A1 Pyridine Derivatives as Connabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280952-A1 Pyridine Derivatives as Connabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280952-A1 Pyridine Derivatives as Connabinoid 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 395/4885CYP2C9 606/4885
US-20080280952-A1 Pyridine Derivatives as Connabinoid Receptor Modulators CNR1, CNR2, P2RY1 CNR2 2/4885CYP2D6 1087/4885CYP2C9 933/4885

“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.