SCHEMBL13875271

SCHEMBL13875271

CC(C)(C)OC(=O)n1c(CN2CC[C@@H]3CCc4cccnc4[C@H]32)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
CXCR4 P61073 6/20 0.37
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OGFRL1 Q5TC84 2/20 0.34
NR1H2 P55055 1/20 0.34
OPRK1 P41145 1/20 0.34
MAP4K1 Q92918 2/20 0.34
PDE10A Q9Y233 1/20 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
SCHEMBL4163663 1.00 GPR119 (0.38) GPR119NOD2NOD1CXCR4FNTA
SCHEMBL4178157 0.96 NOD2 (0.39) GPR119NOD2NOD1CXCR4FNTA
SCHEMBL13875272 0.96 NOD2 (0.39) GPR119NOD2NOD1CXCR4FNTA
SCHEMBL4185850 0.95 CXCR4 (0.41) GPR119NOD2NOD1CXCR4FNTA
SCHEMBL13875189 0.95 CXCR4 (0.41) GPR119NOD2NOD1CXCR4FNTA
SCHEMBL4171449 0.95 CXCR4 (0.41) GPR119NOD2NOD1CXCR4FNTA
SCHEMBL4171448 0.95 CXCR4 (0.41) GPR119NOD2NOD1CXCR4FNTA
SCHEMBL4179325 0.81 CXCR4 (0.51) CXCR4FNTAFNTBCYP2D6
SCHEMBL13875218 0.81 CXCR4 (0.51) CXCR4FNTAFNTBCYP2D6
SCHEMBL4173699 0.81 CXCR4 (0.51) CXCR4FNTAFNTBCYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 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-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 GPR119 542/4885NOD2 2852/4885NOD1 2562/4885

“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.