SCHEMBL4649722

SCHEMBL4649722

CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1CO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CNR1 P21554 1/20 0.39
MAPK1 P28482 2/20 0.37
SRC P12931 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4649764 0.83 CNR2 (0.47) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4649694 0.81 CNR2 (0.58) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4649706 0.80 CNR2 (0.61) CNR2
SCHEMBL4649692 0.79 CNR2 (0.50) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL14006020 0.79 CNR2 (0.46) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4649620 0.79 CNR2 (0.62) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4648499 0.79 CNR2 (0.51) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4650301 0.78 CNR2 (0.45) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4649648 0.78 CNR2 (0.55) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL14381958 0.76 CNR2 (0.56) CNR2CYP2C9CYP2C19CYP1A2CYP3A4

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-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-A1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 EP disclosed
WO-2005080342-A1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 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-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators CNR2, CNR1, TRPV1 CNR2 1/4885CYP2C9 606/4885CYP2C19 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.