SCHEMBL3391565

SCHEMBL3391565

COC(=O)N1CC2CCC(Sc3ccccc3C#N)CC2CC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.38
GRIA2 P42262 3/20 0.38
CTSS P25774 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
FFAR2 O15552 1/20 0.33
HCRTR2 O43614 1/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
PGR P06401 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL6495295 0.80 GRIK1 (0.39) GRIK1GRIA2FFAR2HCRTR2PGR
SCHEMBL3394385 0.79 GRIK1 (0.37) GRIK1GRIA2
SCHEMBL3303296 0.79 HCRTR2 (0.35) GRIK1GRIA2CTSSDDB1CRBN
SCHEMBL9266331 0.75 USP30 (0.36) HCRTR2
SCHEMBL6488979 0.74 FABP5 (0.40) GRIK1GRIA2FFAR2PGRCYP2D6
SCHEMBL3395739 0.74 GRIK1 (0.37) GRIK1GRIA2FFAR2
SCHEMBL3391713 0.73 GRIK1 (0.35) GRIK1GRIA2CTSSCYP2C9POLB
SCHEMBL6500575 0.72 GRIK1 (0.39) GRIK1GRIA2HCRTR2LMNAPGR
SCHEMBL3392544 0.72 GRIK1 (0.46) GRIK1GRIA2CTSSLMNATDP1
SCHEMBL3391198 0.72 GRIK1 (0.46) GRIK1GRIA2CTSSLMNAMAPT

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 14/4885CTSS 3012/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 GRIK1 8/4885GRIA2 14/4885CTSS 3012/4885

“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.