SCHEMBL3395793

SCHEMBL3395793

CC(C)(C)OC(=O)N1CC2CCC(Oc3ccc(Cl)cc3C#N)CC2CC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.41
GRIA2 P42262 4/20 0.41
FPR2 P25090 2/20 0.39
PROKR1 Q8TCW9 2/20 0.39
SCN9A Q15858 1/20 0.37
AR P10275 3/20 0.36
GPR119 Q8TDV5 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
P2RX3 P56373 1/20 0.35
TBK1 Q9UHD2 2/20 0.35
PDE9A O76083 1/20 0.35

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
SCHEMBL3394761 0.90 GRIK1 (0.41) GRIK1GRIA2ARGPR119NR1H2
SCHEMBL3305319 0.90 GRIK1 (0.41) GRIK1GRIA2ARGPR119NR1H2
SCHEMBL3303609 0.90 GPR119 (0.39) GRIK1GRIA2ARGPR119NR1H2
SCHEMBL3392673 0.90 GPR119 (0.39) GRIK1GRIA2ARGPR119NR1H2
SCHEMBL3395739 0.88 GRIK1 (0.37) GRIK1GRIA2ARGPR119
SCHEMBL3393330 0.87 GRIK1 (0.41) GRIK1GRIA2ARGPR119NR1H2
SCHEMBL3393487 0.86 AR (0.37) GRIK1GRIA2ARGPR119NR1H2
SCHEMBL3298914 0.86 AR (0.37) GRIK1GRIA2ARGPR119NR1H2
SCHEMBL3394767 0.85 GRIK1 (0.42) GRIK1GRIA2ARGPR119NR1H2
SCHEMBL3300074 0.85 GRIK1 (0.55) GRIK1GRIA2ALDH1A1P2RX3

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 5 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
US-20040138254-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY 2004-07-15 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 (2 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 GRIK1 8/4885GRIA2 14/4885FPR2 272/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 GRIK1 8/4885GRIA2 14/4885FPR2 272/4885

“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.