SCHEMBL5078906

SCHEMBL5078906

CC1(C)OC(=O)c2cnc(Nc3cccc(Cl)c3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.47
EGFR P00533 3/20 0.46
ERBB3 P21860 1/20 0.45
TNNI3K Q59H18 1/20 0.44
CNR2 P34972 5/20 0.43
GRM5 P41594 2/20 0.43
HPGD P15428 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
ROCK1 Q13464 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
DHODH Q02127 1/20 0.41
PGR P06401 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL4649734 0.81 CNR2 (0.39) PRKDCCNR2PGRKDM4EPOLB
SCHEMBL30059596 0.70 NOS3 (0.35)
SCHEMBL3951733 0.70 MEN1 (0.63) EGFRERBB3TNNI3KPDGFRBPDGFRA
SCHEMBL3957229 0.69 ALDH1A1 (0.56) EGFRERBB3TNNI3KCNR2PDGFRB
SCHEMBL31448272 0.68 MAP4K1 (0.56)
SCHEMBL4843899 0.68 PGR (0.74) PGR
SCHEMBL4649279 0.67 CNR2 (0.59) PRKDCEGFRERBB3TNNI3KCNR2
SCHEMBL3951446 0.66 HTR3E (0.57) EGFRERBB3TNNI3KPDGFRBPDGFRA
SCHEMBL181114 0.66 MEN1 (0.52) EGFRERBB3HPGDPDGFRBPDGFRA
SCHEMBL3951488 0.66 CHRNB4 (0.52) PRKDCEGFRERBB3CNR2MAOA

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-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-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 PRKDC 3795/4885EGFR 1095/4885ERBB3 364/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A PRKDC 1867/4885EGFR 1355/4885ERBB3 453/4885

“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.