Sugi Predict

Sugi Predict / Compounds / SCHEMBL6488979

SCHEMBL6488979

SCHEMBL6488979

COC(=O)N1CC2CCC(Nc3cc(-c4ccccc4)ccc3C#N)CC2CC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 5/20 0.40
▸ FABP7 O15540 4/20 0.40
▸ FABP3 P05413 3/20 0.40
▸ GRIK1 P39086 2/20 0.40
▸ GRIA2 P42262 2/20 0.40
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ FFAR2 O15552 2/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ USP30 Q70CQ3 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
SCHEMBL6495295 0.89 GRIK1 (0.39) GRIK1GRIA2KDM4EALDH1A1KMT2A
SCHEMBL6500575 0.88 GRIK1 (0.39) GRIK1GRIA2CYP3A4KMT2APGR
SCHEMBL6493877 0.79 GRIK1 (0.39) GRIK1GRIA2
SCHEMBL6493024 0.78 GRIK1 (0.38) GRIK1GRIA2CYP3A4KMT2APGR
SCHEMBL6484290 0.78 GRIK1 (0.35) GRIK1GRIA2CYP3A4KMT2APGR
SCHEMBL3391565 0.74 GRIK1 (0.38) GRIK1GRIA2PGRCYP2D6CYP2C9
SCHEMBL3305699 0.74 GRIK1 (0.43) GRIK1GRIA2
SCHEMBL3425412 0.74 GRIK1 (0.43) GRIK1GRIA2
SCHEMBL6494432 0.73 GRIK1 (0.44) GRIK1GRIA2KDM4EALDH1A1KMT2A
SCHEMBL6484834 0.73 TACR1 (0.41) CYP3A4KDM4EALDH1A1KMT2A

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 FABP5 1735/4885FABP7 573/4885FABP3 3232/4885

“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.