SCHEMBL6493877

SCHEMBL6493877

COC(=O)N1CC2CCC(Nc3cccc(C)c3C#N)CC2CC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.39
GRIA2 P42262 5/20 0.36
ITGB3 P05106 2/20 0.34
ITGB1 P05556 2/20 0.34
ITGAV P06756 2/20 0.34
ITGA5 P08648 2/20 0.34
ITGA4 P13612 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GRM5 P41594 1/20 0.30
GPR6 P46095 1/20 0.30

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
SCHEMBL6493024 0.90 GRIK1 (0.38) GRIK1GRIA2
SCHEMBL6484290 0.90 GRIK1 (0.35) GRIK1GRIA2KCNH2HRH3GPR6
SCHEMBL6495295 0.85 GRIK1 (0.39) GRIK1GRIA2L3MBTL1
SCHEMBL6500575 0.81 GRIK1 (0.39) GRIK1GRIA2GRM5
SCHEMBL6488979 0.79 FABP5 (0.40) GRIK1GRIA2
SCHEMBL6494432 0.77 GRIK1 (0.44) GRIK1GRIA2L3MBTL1TSHR
SCHEMBL6487605 0.73 GRIK1 (0.45) GRIK1TSHR
SCHEMBL6484834 0.73 TACR1 (0.41)
SCHEMBL9266331 0.72 USP30 (0.36)
SCHEMBL6488447 0.71 GRIK1 (0.37) GRIK1GRIA2KCNH2HRH3

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
US-6924294-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2005-08-02 US disclosed
US-20040053961-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY 2004-03-18 US disclosed
EP-1351689-A2 DERIVATIVES OF THE (3S, 4AR, 6S, 8AR) 6-PHENYLAMINO-1,2,3,4,4A,5,6,7,8,8A-DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS AND NEURODEGENERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-10-15 EP disclosed
WO-2003024934-A2 DERIVATIVES OF THE (3S, 4AR, 6S, 8AR) 6-PHENYLAMINO-1, 2, 3, 4, 4A, 5, 6, 7, 8, 8A-DECAHYDRO ISOQUINOLINE-3-CARBOXYLIC ACID AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS AND NEURODEGENERATIVE DISEASES 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-20040053961-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, SLC1A3 GRIK1 12/4885GRIA2 24/4885ITGB3 3504/4885

“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.