SCHEMBL6525436

SCHEMBL6525436

COc1ccc(OC2CCN(C(=O)[C@H](C(C)C)N(C(=O)O)C(C)(C)C)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.41
NAMPT P43490 2/20 0.41
GPR119 Q8TDV5 2/20 0.40
LIPE Q05469 3/20 0.40
PIK3CD O00329 5/20 0.39
PIK3CA P42336 5/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ACACB O00763 3/20 0.38
ACACA Q13085 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6522441 0.89 GPR119 (0.41) CHRM4NAMPTGPR119LIPECYP4F2
SCHEMBL6520375 0.88 LPL (0.44) CHRM4NAMPTGPR119LIPECYP4F2
SCHEMBL6522470 0.87 GPR119 (0.41) NAMPTGPR119LIPEHPGD
SCHEMBL6525325 0.86 LIPE (0.51) NAMPTGPR119LIPEPIK3CDPIK3CA
SCHEMBL6525990 0.85 NAMPT (0.46) NAMPTGPR119LIPE
SCHEMBL6522050 0.84 LNPEP (0.37) NAMPTGPR119LIPECYP4F2CYP4A11
SCHEMBL6521594 0.84 NAMPT (0.47) NAMPTGPR119LIPE
SCHEMBL6523469 0.84 MMP1 (0.49) NAMPTGPR119LIPE
SCHEMBL6522082 0.83 SRD5A1 (0.41) NAMPTGPR119LIPE
SCHEMBL6520058 0.83 LIPE (0.57) NAMPTLIPE

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 1 patent. 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

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 CHRM4 1172/4885NAMPT 1696/4885GPR119 1336/4885

“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.