SCHEMBL6520372

SCHEMBL6520372

CC(C)[C@@H](C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.44
NAMPT P43490 2/20 0.44
SRD5A1 P18405 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ACACB O00763 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
CCR1 P32246 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2J2 P51589 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL6524790 0.89 NAMPT (0.44) EPHX2NAMPTSRD5A1HRH3LMNA
SCHEMBL6518854 0.89 NAMPT (0.44) EPHX2NAMPTSRD5A1HRH3LMNA
SCHEMBL6522458 0.89 EPHX2 (0.46) EPHX2NAMPTSRD5A1HRH3ACACB
SCHEMBL6518433 0.88 EPHX2 (0.48) EPHX2NAMPTSRD5A1ACACB
SCHEMBL6525483 0.88 EPHX2 (0.45) EPHX2NAMPTSRD5A1ACACB
SCHEMBL6523941 0.87 EPHX2 (0.44) EPHX2NAMPTSRD5A1ACACBMAPT
SCHEMBL6520375 0.87 LPL (0.44) NAMPTSRD5A1HRH3ACACBLMNA
SCHEMBL6520019 0.87 PTGS1 (0.47) NAMPTSRD5A1HRH3ACACBHRH1
SCHEMBL6524576 0.87 GPR119 (0.54) EPHX2NAMPTSRD5A1HRH3RORC
SCHEMBL6518444 0.86 CYP11B2 (0.40) NAMPTSRD5A1

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 1544/4885NAMPT 1696/4885SRD5A1 141/4885

“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.