SCHEMBL3394767

SCHEMBL3394767

COc1ccc(C#N)c(OC2CCC3CN(C(=O)OC(C)(C)C)C(C(=O)O)CC3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.42
GRIA2 P42262 3/20 0.40
GPR119 Q8TDV5 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE4B Q07343 3/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
NOS2 P35228 1/20 0.35
AR P10275 3/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
RET P07949 2/20 0.34
STS P08842 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 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
SCHEMBL3393330 0.90 GRIK1 (0.41) GRIK1GRIA2GPR119PDE4BAR
SCHEMBL3298914 0.89 AR (0.37) GRIK1GRIA2GPR119PDE4BAR
SCHEMBL3393487 0.89 AR (0.37) GRIK1GRIA2GPR119PDE4BAR
SCHEMBL3395739 0.87 GRIK1 (0.37) GRIK1GRIA2GPR119AR
SCHEMBL3305319 0.86 GRIK1 (0.41) GRIK1GRIA2GPR119PDE4BAR
SCHEMBL3394761 0.86 GRIK1 (0.41) GRIK1GRIA2GPR119PDE4BAR
SCHEMBL3392673 0.85 GPR119 (0.39) GRIK1GRIA2GPR119PDE4BAR
SCHEMBL3303609 0.85 GPR119 (0.39) GRIK1GRIA2GPR119PDE4BAR
SCHEMBL3395793 0.85 GRIK1 (0.41) GRIK1GRIA2GPR119ARNR1H2
SCHEMBL3308660 0.83 GPR119 (0.36) GRIK1GRIA2GPR119ARRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166003-A1 Excitatory amino acid receptor antagonists Eli Lilly & Company (US) 2010-03-24 EP disclosed
US-20060100237-A1 Excitatory amino acid receptor antagonists ARNOLD MACKLIN B 2006-05-11 US disclosed
EP-1368032-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2003024453-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-03-27 WO 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-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 GRIK1 8/4885GRIA2 14/4885GPR119 108/4885

“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.