SCHEMBL6494432

SCHEMBL6494432

CCOC(=O)c1ccccc1NC1CCC2CN(C(=O)OC)C(C(=O)O)CC2C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.44
GRIA2 P42262 1/20 0.44
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 7/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 2/20 0.43
HSD17B10 Q99714 4/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
CNR2 P34972 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6488447 0.87 GRIK1 (0.37) GRIK1GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL6487605 0.83 GRIK1 (0.45) GRIK1ALDH1A1KDM4EKMT2AHPGD
SCHEMBL6495295 0.80 GRIK1 (0.39) GRIK1GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL6493877 0.77 GRIK1 (0.39) GRIK1GRIA2L3MBTL1TSHR
SCHEMBL6484834 0.77 TACR1 (0.41) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6484290 0.75 GRIK1 (0.35) GRIK1GRIA2KMT2AMEN1
SCHEMBL6493024 0.75 GRIK1 (0.38) GRIK1GRIA2KMT2AMEN1GAA
SCHEMBL3391713 0.75 GRIK1 (0.35) GRIK1GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL6485218 0.74 GRIK1 (0.61) GRIK1GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL6500575 0.74 GRIK1 (0.39) GRIK1GRIA2KMT2AMEN1

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 24/4885ALDH1A1 1762/4885

“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.