SCHEMBL6484834

SCHEMBL6484834

COC(=O)N1CC2CCC(NCc3ccccc3)CC2CC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
AGTR2 P50052 1/20 0.39
GRIN2B Q13224 1/20 0.39
FABP6 P51161 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
DPP4 P27487 1/20 0.38
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
BACE1 P56817 1/20 0.38
CYP3A4 P08684 2/20 0.37
LTA4H P09960 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7171997 0.84 CXCR4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7165958 0.78 AGTR2 (0.41) AGTR2DPP4KMT2AMEN1CYP3A4
SCHEMBL6495295 0.77 GRIK1 (0.39) KMT2AKDM4EALDH1A1
SCHEMBL6494432 0.77 GRIK1 (0.44) KMT2AMEN1KDM4EALDH1A1
SCHEMBL7168130 0.76 KMT2A (0.38) KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL7166169 0.75 CXCR4 (0.43) GRIN2BBCHEALDH1A1
SCHEMBL7170826 0.74 CXCR4 (0.40) GRIN2BKMT2AMEN1CYP3A4KDM4E
SCHEMBL4388576 0.74 AGTR2 (0.48) AGTR2BCHEACHEKMT2ABACE1
SCHEMBL11048379 0.74 AGTR2 (0.50) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL11048376 0.74 AGTR2 (0.50) AGTR2PSEN1PSEN2APH1BNCSTN

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 TACR1 155/4885AGTR2 256/4885GRIN2B 4/4885

“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.