SCHEMBL2774428

SCHEMBL2774428

CC(C)(C)OC(=O)N1CCC(Oc2ncc(I)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.53
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
HPGD P15428 1/20 0.46
PIK3CD O00329 1/20 0.45

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
SCHEMBL4469107 0.87 GPR119 (0.53) GPR119NPBWR1MCHR1HPGD
SCHEMBL2538047 0.87 GPR119 (0.53) GPR119NPBWR1MCHR1HPGDPIK3CD
SCHEMBL3343105 0.86 GPR119 (0.52) GPR119NPBWR1MCHR1
SCHEMBL20303652 0.86 GPR119 (0.52) GPR119NPBWR1MCHR1HPGD
SCHEMBL4714125 0.85 GPR119 (0.62) GPR119
SCHEMBL29716446 0.85 GPR119 (0.53) GPR119NPBWR1MCHR1HPGD
SCHEMBL2774875 0.85 GPR119 (0.51) GPR119NPBWR1MCHR1HPGDPIK3CD
SCHEMBL2774561 0.85 GPR119 (0.51) GPR119NPBWR1MCHR1
SCHEMBL19147635 0.84 GPR119 (0.53) GPR119NPBWR1MCHR1
SCHEMBL19147575 0.84 GPR119 (0.50) GPR119NPBWR1MCHR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP 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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 GPR119 1336/4885NPBWR1 2278/4885MCHR1 2946/4885

“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.