SCHEMBL3393487

SCHEMBL3393487

CC(C)(C)OC(=O)N1CC2CCC(Oc3cc(Br)ccc3C#N)CC2CC1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
AAK1 Q2M2I8 2/20 0.34
RET P07949 2/20 0.33
GRIK1 P39086 2/20 0.33
PDE4B Q07343 1/20 0.33
TBK1 Q9UHD2 2/20 0.32
GRIA2 P42262 1/20 0.32

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
SCHEMBL3298914 1.00 AR (0.37) ARNR1H2NR1H3GPR119AAK1
SCHEMBL3393330 0.90 GRIK1 (0.41) ARNR1H2NR1H3GPR119GRIK1
SCHEMBL3394767 0.89 GRIK1 (0.42) ARNR1H2NR1H3GPR119RET
SCHEMBL3395739 0.88 GRIK1 (0.37) ARGPR119GRIK1GRIA2
SCHEMBL3305319 0.87 GRIK1 (0.41) ARNR1H2NR1H3GPR119GRIK1
SCHEMBL3394761 0.87 GRIK1 (0.41) ARNR1H2NR1H3GPR119GRIK1
SCHEMBL3303609 0.86 GPR119 (0.39) ARNR1H2NR1H3GPR119GRIK1
SCHEMBL3392673 0.86 GPR119 (0.39) ARNR1H2NR1H3GPR119GRIK1
SCHEMBL3395793 0.86 GRIK1 (0.41) ARNR1H2NR1H3GPR119GRIK1
SCHEMBL3391722 0.84 GPR119 (0.36) ARGPR119RETGRIK1TBK1

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 AR 1391/4885NR1H2 1291/4885NR1H3 1646/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 AR 1391/4885NR1H2 1291/4885NR1H3 1646/4885

“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.