SCHEMBL6523995

SCHEMBL6523995

CC(C)[C@@H](C(=O)N1CCC(Oc2cnccn2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
CYP2C9 P11712 1/20 0.45
NAAA Q02083 8/20 0.41
GPR119 Q8TDV5 4/20 0.38
NAMPT P43490 2/20 0.38
MDM2 Q00987 1/20 0.37
LIPE Q05469 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
SCHEMBL6523919 0.86 EPHX2 (0.48) EPHX2GPR119NAMPTMDM2LIPE
SCHEMBL6527742 0.83 EPHX2 (0.48) EPHX2NAMPT
SCHEMBL6525990 0.83 NAMPT (0.46) GPR119NAMPTLIPE
SCHEMBL6520086 0.83 GPR119 (0.39) GPR119
SCHEMBL6523941 0.82 EPHX2 (0.44) EPHX2CYP2C9NAMPT
SCHEMBL6521594 0.82 NAMPT (0.47) EPHX2CYP2C9GPR119NAMPTLIPE
SCHEMBL6523469 0.82 MMP1 (0.49) GPR119NAMPTLIPE
SCHEMBL6522470 0.82 GPR119 (0.41) GPR119NAMPTLIPE
SCHEMBL6520058 0.82 LIPE (0.57) EPHX2NAMPTLIPE
SCHEMBL6523540 0.81 HMOX1 (0.39) EPHX2CYP2C9GPR119NAMPTLIPE

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 1544/4885CYP2C9 161/4885NAAA 343/4885

“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.