SCHEMBL3306909

SCHEMBL3306909

CCOC(=O)C1CC2CC(O)CCC2CN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.42
MAPT P10636 3/20 0.42
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
FKBP1A P62942 2/20 0.36
NR1H2 P55055 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
PREP P48147 1/20 0.34
MAPK1 P28482 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
SCHEMBL14187650 1.00 CYP3A4 (0.42) CYP3A4MAPTCHRM2CHRM1CHRM3
SCHEMBL13390583 1.00 CYP3A4 (0.42) CYP3A4MAPTCHRM2CHRM1CHRM3
SCHEMBL4488312 0.86 FKBP1A (0.43) CYP3A4MAPTCHRM2CHRM1CHRM3
SCHEMBL3305700 0.86 CYP3A4 (0.44) CYP3A4MAPTKDM4EFKBP1AKMT2A
SCHEMBL6327274 0.84 NR1H2 (0.37) CYP3A4MAPTCHRM2CHRM1CHRM3
SCHEMBL3302517 0.84 CHRM2 (0.42) CYP3A4MAPTCHRM2CHRM1CHRM3
SCHEMBL3303552 0.84 CHRM2 (0.42) CYP3A4MAPTCHRM2CHRM1CHRM3
SCHEMBL9635522 0.83 POLB (0.50) CYP3A4MAPTCHRM2CHRM1CHRM3
SCHEMBL116396 0.83 POLB (0.50) CYP3A4MAPTCHRM2CHRM1CHRM3
SCHEMBL2202494 0.83 POLB (0.50) CYP3A4MAPTCHRM2CHRM1CHRM3

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 9 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-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
WO-2003024453-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS 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 (3 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 CYP3A4 3872/4885MAPT 631/4885CHRM2 513/4885
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, GRIN1 CYP3A4 3872/4885MAPT 631/4885CHRM2 513/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 CYP3A4 3872/4885MAPT 631/4885CHRM2 513/4885

“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.