SCHEMBL5083089

SCHEMBL5083089

CCOC(=O)C(/C=C/C(=O)OC)=C(/N)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
NPSR1 Q6W5P4 2/20 0.36
GFPT1 Q06210 1/20 0.36
ALOX15 P16050 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLO1 Q04760 1/20 0.33
HPGD P15428 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
MDM4 O15151 1/20 0.31
LMNA P02545 1/20 0.31
MDM2 Q00987 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31

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
SCHEMBL5083093 1.00 HCAR2 (0.41) HCAR2KEAP1NFE2L2NPSR1GFPT1
SCHEMBL4890688 0.82 HCAR2 (0.45) HCAR2KEAP1NFE2L2NPSR1GFPT1
SCHEMBL14870465 0.82 HCAR2 (0.45) HCAR2KEAP1NFE2L2NPSR1GFPT1
SCHEMBL12571368 0.76 MAPT (0.40) HCAR2KEAP1NFE2L2NPSR1GFPT1
SCHEMBL31172532 0.76 GAA (0.38) HCAR2KEAP1NFE2L2NPSR1GFPT1
SCHEMBL1970792 0.76 MAPT (0.40) HCAR2KEAP1NFE2L2NPSR1GFPT1
SCHEMBL26463495 0.72 HCAR2 (0.54) HCAR2KEAP1NFE2L2NPSR1GFPT1
SCHEMBL948834 0.71 HCAR2 (0.52) HCAR2NPSR1ALOX15MAPTALDH1A1
Diethyl Maleate SCHEMBL1997508 0.71 HCAR2 (0.67) HCAR2KEAP1NFE2L2NPSR1MAPT
SCHEMBL847082 0.71 HCAR2 (0.67) HCAR2KEAP1NFE2L2NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed
EP-1732561-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-12-20 EP disclosed
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2006-10-26 US disclosed
EP-1565442-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-08-24 EP disclosed
WO-2005074939-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2005-08-18 WO disclosed
WO-2004029026-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-04-08 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 (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-20060240048-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 HCAR2 82/4885KEAP1 1997/4885NFE2L2 1707/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A HCAR2 170/4885KEAP1 3141/4885NFE2L2 2849/4885

“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.