SCHEMBL3391722

SCHEMBL3391722

CC(C)(C)OC(=O)N1CC2CCC(Oc3cc(-c4ccccc4F)ccc3C#N)CC2CC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.36
TBK1 Q9UHD2 5/20 0.35
GRIK1 P39086 4/20 0.34
GRIA2 P42262 4/20 0.34
AR P10275 3/20 0.34
KDM1A O60341 1/20 0.34
RET P07949 1/20 0.33

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
SCHEMBL3308660 1.00 GPR119 (0.36) GPR119TBK1GRIK1GRIA2AR
SCHEMBL3395739 0.85 GRIK1 (0.37) GPR119GRIK1GRIA2AR
SCHEMBL3393330 0.85 GRIK1 (0.41) GPR119TBK1GRIK1GRIA2AR
SCHEMBL3392673 0.84 GPR119 (0.39) GPR119TBK1GRIK1GRIA2AR
SCHEMBL3303609 0.84 GPR119 (0.39) GPR119TBK1GRIK1GRIA2AR
SCHEMBL3298914 0.84 AR (0.37) GPR119TBK1GRIK1GRIA2AR
SCHEMBL3393487 0.84 AR (0.37) GPR119TBK1GRIK1GRIA2AR
SCHEMBL3394767 0.83 GRIK1 (0.42) GPR119TBK1GRIK1GRIA2AR
SCHEMBL3303727 0.82 GRIK1 (0.42) GPR119GRIK1GRIA2ARKDM1A
SCHEMBL3394535 0.82 GRIK1 (0.42) GPR119GRIK1GRIA2ARKDM1A

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 GPR119 108/4885TBK1 1298/4885GRIK1 8/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 GPR119 108/4885TBK1 1298/4885GRIK1 8/4885

“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.