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Sugi Predict / Compounds / SCHEMBL6488447

SCHEMBL6488447

SCHEMBL6488447

CCOC(=O)c1cc(F)ccc1NC1CCC2CN(C(=O)OC)C(C(=O)O)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 3/20 0.37
▸ GRIA2 P42262 3/20 0.37
▸ TP53 P04637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.34
▸ TLR4 O00206 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL6494432 0.87 GRIK1 (0.44) GRIK1GRIA2ALDH1A1KDM4EMEN1
SCHEMBL6487605 0.80 GRIK1 (0.45) GRIK1TP53ALDH1A1KDM4EKMT2A
SCHEMBL3392544 0.74 GRIK1 (0.46) GRIK1GRIA2TP53POLBALDH1A1
SCHEMBL3391713 0.74 GRIK1 (0.35) GRIK1GRIA2TP53POLBALDH1A1
SCHEMBL6500575 0.73 GRIK1 (0.39) GRIK1GRIA2POLBMEN1KMT2A
SCHEMBL3391198 0.72 GRIK1 (0.46) GRIK1GRIA2TP53ALDH1A1KDM4E
SCHEMBL6484290 0.72 GRIK1 (0.35) GRIK1GRIA2MEN1KMT2AHRH3
SCHEMBL6495295 0.71 GRIK1 (0.39) GRIK1GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL6493877 0.71 GRIK1 (0.39) GRIK1GRIA2HRH3KCNH2
SCHEMBL6484834 0.70 TACR1 (0.41) ALDH1A1KDM4EMEN1KMT2ACYP3A4

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 24/4885TP53 4746/4885

“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.