SCHEMBL6523919

SCHEMBL6523919

CC(C)[C@@H](C(=O)N1CCC(Oc2ccccn2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
KDM5A P29375 1/20 0.46
NAMPT P43490 4/20 0.44
RIPK1 Q13546 1/20 0.42
RBP4 P02753 1/20 0.42
LIPE Q05469 4/20 0.42
HRH3 Q9Y5N1 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SRD5A1 P18405 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
SLC5A7 Q9GZV3 1/20 0.37
SCN9A Q15858 1/20 0.37
MDM2 Q00987 1/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL6523995 0.86 EPHX2 (0.46) EPHX2NAMPTLIPEMDM2GPR119
SCHEMBL6525990 0.85 NAMPT (0.46) NAMPTLIPEHRH3GPR119
SCHEMBL6523469 0.84 MMP1 (0.49) NAMPTLIPEHRH3GPR119
SCHEMBL6521594 0.84 NAMPT (0.47) EPHX2NAMPTLIPEHRH3GPR119
SCHEMBL6522911 0.84 DPP4 (0.41) EPHX2KDM5ANAMPTRBP4LIPE
SCHEMBL6522470 0.84 GPR119 (0.41) NAMPTLIPEHRH3SRD5A1GPR119
SCHEMBL6520058 0.83 LIPE (0.57) EPHX2NAMPTLIPEHRH3
SCHEMBL6522471 0.83 FFAR4 (0.41) RBP4HRH3GPR119
SCHEMBL6523941 0.82 EPHX2 (0.44) EPHX2NAMPTSRD5A1ALDH1A1
SCHEMBL6518379 0.82 HMOX1 (0.43) EPHX2NAMPTRBP4LIPESRD5A1

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 EPHX2 1544/4885KDM5A 1372/4885NAMPT 1696/4885

“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.