SCHEMBL3303603

SCHEMBL3303603

CCC1C2CCC(=O)CC2CC(C(=O)O)N1C(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.32
HCRTR2 O43614 2/20 0.31

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
SCHEMBL3301740 1.00 ACE (0.32) ACEHCRTR2
SCHEMBL3303578 0.88 CHRM2 (0.36)
SCHEMBL3304466 0.79 CYP3A4 (0.39) ACEHCRTR2
SCHEMBL3305703 0.79 CYP3A4 (0.39) ACEHCRTR2
SCHEMBL6328311 0.77 NR1H2 (0.34) ACEHCRTR2
SCHEMBL6328315 0.76 HCRTR2 (0.32) ACEHCRTR2
SCHEMBL6334750 0.76 HCRTR2 (0.31) ACEHCRTR2
SCHEMBL6608199 0.76 HCRTR2 (0.31) ACEHCRTR2
SCHEMBL3303118 0.74 HCRTR2 (0.39) ACEHCRTR2
SCHEMBL27348176 0.73 TPSAB1 (0.30)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS MARTINEZ-PEREZ JOSE ANTONIO 2010-04-15 US disclosed
EP-2166003-A1 Excitatory amino acid receptor antagonists Eli Lilly & Company (US) 2010-03-24 EP disclosed
US-7601738-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
EP-1368032-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-06-11 EP disclosed
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-20060100237-A1 Excitatory amino acid receptor antagonists ARNOLD MACKLIN B 2006-05-11 US disclosed
US-6953805-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-11 US disclosed
US-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS FILLA SANDRA A (US) 2005-08-04 US disclosed
US-20040138254-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY 2004-07-15 US disclosed
EP-1368032-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
EP-1351951-A2 PYRROLIDINYLMETHYL- AND PIPERIDINYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-15 EP disclosed
WO-2003024453-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-03-27 WO disclosed
WO-2002053555-A2 PYRROLIDINYLMETHYL- AND PIPERIDINYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-07-11 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 (4 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-20040138254-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 ACE 1413/4885HCRTR2 154/4885
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, GRIN1 ACE 1413/4885HCRTR2 154/4885
US-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, SLC1A3 ACE 1622/4885HCRTR2 115/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 ACE 1413/4885HCRTR2 154/4885

“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.