SCHEMBL6487605

SCHEMBL6487605

CCOC(=O)c1cccc(NC2CCC3CN(C(=O)OC)C(C(=O)O)CC3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.45
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.40
CDC25B P30305 3/20 0.40
NPY2R P49146 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6494432 0.83 GRIK1 (0.44) GRIK1ALDH1A1HPGDMAPTKMT2A
SCHEMBL6494209 0.78 GRIK1 (0.74) GRIK1ALDH1A1
SCHEMBL6493877 0.73 GRIK1 (0.39) GRIK1TSHR
SCHEMBL6484834 0.73 TACR1 (0.41) ALDH1A1KMT2AKDM4E
SCHEMBL6500575 0.72 GRIK1 (0.39) GRIK1LMNAKMT2ANPSR1
SCHEMBL19915084 0.71 ALOX15 (0.62) ALDH1A1HPGDTP53LMNACDC25B
SCHEMBL6484290 0.71 GRIK1 (0.35) GRIK1KMT2A
SCHEMBL6493024 0.71 GRIK1 (0.38) GRIK1KMT2A
SCHEMBL3391713 0.71 GRIK1 (0.35) GRIK1ALDH1A1TP53MAPTKMT2A
SCHEMBL9269340 0.70 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AKDM4E

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 12/4885ALDH1A1 1762/4885HPGD 1519/4885

“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.