SCHEMBL6525063

SCHEMBL6525063

CC(C)[C@@H](C(=O)N1CCC(Oc2cncc(F)c2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.45
ABHD6 Q9BV23 3/20 0.41
CYP11B2 P19099 4/20 0.37
CYP11B1 P15538 1/20 0.37
LNPEP Q9UIQ6 1/20 0.35
NAMPT P43490 4/20 0.35
ALDH1A1 P00352 1/20 0.35
PRMT5 O14744 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
RET P07949 1/20 0.34
HDAC4 P56524 2/20 0.34

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
SCHEMBL6518444 0.89 CYP11B2 (0.40) GPR119CYP11B2CYP11B1LNPEPNAMPT
SCHEMBL6524637 0.86 ACACB (0.39) GPR119LNPEPNAMPTPTGS1PTGS2
SCHEMBL6524790 0.85 NAMPT (0.44) NAMPTPTGS1PTGS2
SCHEMBL6518854 0.85 NAMPT (0.44) NAMPTPTGS1PTGS2
SCHEMBL6525386 0.84 HSD11B1 (0.42) GPR119
SCHEMBL6527742 0.83 EPHX2 (0.48) NAMPTALDH1A1
SCHEMBL6522432 0.83 HMOX1 (0.39) GPR119LNPEPNAMPT
SCHEMBL6523941 0.83 EPHX2 (0.44) LNPEPNAMPTALDH1A1
SCHEMBL6520019 0.82 PTGS1 (0.47) GPR119NAMPTPTGS1PTGS2
SCHEMBL6525322 0.82 P2RX3 (0.39) LNPEPNAMPT

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 GPR119 1336/4885ABHD6 3509/4885CYP11B2 394/4885

“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.