SCHEMBL4649706

SCHEMBL4649706

CC(C)c1cc(Nc2cccc(Cl)c2)ncc1CO

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.61
EGFR P00533 3/20 0.48
ERBB3 P21860 2/20 0.44
KDR P35968 3/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CDK1 P06493 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
ROCK1 Q13464 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
TNNI3K Q59H18 1/20 0.41

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
SCHEMBL14006034 0.84 CNR2 (0.59) CNR2EGFRERBB3PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL4649162 0.83 CNR2 (0.58) CNR2EGFRERBB3PDGFRBPDGFRA
SCHEMBL4650473 0.82 CNR2 (0.63) CNR2EGFR
SCHEMBL4649778 0.82 CNR2 (0.53) CNR2EGFRERBB3KDR
SCHEMBL4648957 0.82 CNR2 (0.53) CNR2EGFRERBB3KDRPDGFRB
Hydrochloric Acid SCHEMBL4910087 0.81 CNR2 (0.52) CNR2EGFRERBB3KDR
SCHEMBL4649635 0.81 CNR2 (0.66) CNR2
SCHEMBL4649619 0.81 CNR2 (0.69) CNR2
SCHEMBL4649722 0.80 CNR2 (0.52) CNR2
SCHEMBL14006031 0.80 CNR2 (0.51) CNR2EGFRKDR

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
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
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 1/4885EGFR 818/4885ERBB3 354/4885

“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.