SCHEMBL6837084

SCHEMBL6837084

COc1ccc(C#N)c(OC2CCC3C(CCN(C(=O)OC(C)(C)C)C3C(=O)O)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.39
GRIK1 P39086 4/20 0.38
RET P07949 1/20 0.37
GRIA2 P42262 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
STS P08842 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PDE4B Q07343 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4A P27815 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
SCHEMBL3394767 0.82 GRIK1 (0.42) GPR119GRIK1RETGRIA2NPC1
SCHEMBL3306973 0.79 GRIK1 (0.36) GPR119GRIK1GRIA2ALDH1A1NPC1
SCHEMBL3393330 0.72 GRIK1 (0.41) GPR119GRIK1GRIA2TBK1NR1H2
SCHEMBL3393487 0.71 AR (0.37) GPR119GRIK1RETGRIA2TBK1
SCHEMBL3298914 0.71 AR (0.37) GPR119GRIK1RETGRIA2TBK1
SCHEMBL3303406 0.69 GRIK1 (0.35) GPR119GRIK1GRIA2TBK1PDE4B
SCHEMBL3395739 0.69 GRIK1 (0.37) GPR119GRIK1GRIA2AR
SCHEMBL3394761 0.68 GRIK1 (0.41) GPR119GRIK1GRIA2IKBKETBK1
SCHEMBL3305319 0.68 GRIK1 (0.41) GPR119GRIK1GRIA2IKBKETBK1
SCHEMBL3303609 0.68 GPR119 (0.39) GPR119GRIK1GRIA2IKBKETBK1

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-20040138254-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY 2004-07-15 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-20040138254-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 GPR119 108/4885GRIK1 8/4885RET 846/4885

“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.