SCHEMBL5077145

SCHEMBL5077145

Cc1cccc(Nc2cc(C(C)C)c(C(=O)NCc3ccc(F)cc3)cn2)c1C#N

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.63
GPR52 Q9Y2T5 1/20 0.43
MT-CO2 P00403 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40

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
SCHEMBL5459000 0.91 CNR2 (0.67) CNR2GPR52MT-CO2
SCHEMBL5789335 0.87 CNR2 (0.66) CNR2GPR52MT-CO2SMN1; SMN2HTT
SCHEMBL5449998 0.85 CNR2 (0.59) CNR2SMN1; SMN2POLBIRAK4
SCHEMBL5459517 0.85 CNR2 (0.68) CNR2GPR52MT-CO2SMN1; SMN2HTT
SCHEMBL5459505 0.83 CNR2 (0.66) CNR2GPR52MT-CO2SMN1; SMN2HTT
SCHEMBL5464831 0.83 CNR2 (0.71) CNR2GPR52MT-CO2
SCHEMBL5447877 0.82 CNR2 (0.76) CNR2IRAK4
SCHEMBL5464842 0.82 CNR2 (0.73) CNR2GPR52MT-CO2SMN1; SMN2POLB
SCHEMBL5457305 0.82 CNR2 (0.73) CNR2GPR52MT-CO2SMN1; SMN2POLB
SCHEMBL5464836 0.82 CNR2 (0.64) CNR2GPR52MT-CO2POLB

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
EP-1562907-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-11-15 EP claimed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070129367-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2007-06-07 US disclosed
US-20070129367-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2007-06-07 US disclosed
US-20070129367-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2007-06-07 US disclosed
EP-1732561-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-12-20 EP disclosed
EP-1562907-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-11-15 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

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-20070129367-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 CNR2 1/4885GPR52 25/4885MT-CO2 1032/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CNR2 1/4885GPR52 46/4885MT-CO2 2828/4885

“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.