SCHEMBL6495295

SCHEMBL6495295

COC(=O)N1CC2CCC(Nc3ccccc3C#N)CC2CC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.39
GRIA2 P42262 2/20 0.39
GAA P10253 3/20 0.37
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 2/20 0.35
OPRK1 P41145 1/20 0.35
FFAR2 O15552 1/20 0.34
HCRTR2 O43614 1/20 0.34
CXCR6 O00574 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MLNR O43193 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
SCHEMBL6488979 0.89 FABP5 (0.40) GRIK1GRIA2KMT2ACYP2D6FFAR2
SCHEMBL6500575 0.87 GRIK1 (0.39) GRIK1GRIA2KMT2ACYP2D6HCRTR2
SCHEMBL6493877 0.85 GRIK1 (0.39) GRIK1GRIA2L3MBTL1
SCHEMBL6493024 0.85 GRIK1 (0.38) GRIK1GRIA2GAAKMT2ACYP2D6
SCHEMBL6484290 0.85 GRIK1 (0.35) GRIK1GRIA2KMT2ACYP2D6TAS1R3
SCHEMBL3391565 0.80 GRIK1 (0.38) GRIK1GRIA2CYP2D6FFAR2HCRTR2
SCHEMBL6494432 0.80 GRIK1 (0.44) GRIK1GRIA2GAAKMT2AKDM4E
SCHEMBL6484834 0.77 TACR1 (0.41) KMT2AKDM4EALDH1A1
SCHEMBL9266331 0.74 USP30 (0.36) HCRTR2
SCHEMBL3395739 0.73 GRIK1 (0.37) GRIK1GRIA2FFAR2

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 24/4885GAA 1716/4885

“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.