SCHEMBL3303552

SCHEMBL3303552

CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.39
CYP3A4 P08684 6/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.38
PREP P48147 3/20 0.37
NR1H2 P55055 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
BTK Q06187 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTRA1 Q92743 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL3302517 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM3HSD17B10ATM
SCHEMBL14343315 0.86 NR1H2 (0.45) CHRM2CHRM1CHRM3HSD17B10ATM
SCHEMBL18065025 0.86 NR1H2 (0.45) CHRM2CHRM1CHRM3HSD17B10ATM
SCHEMBL14343500 0.86 NR1H2 (0.45) CHRM2CHRM1CHRM3HSD17B10ATM
SCHEMBL18065024 0.86 NR1H2 (0.45) CHRM2CHRM1CHRM3HSD17B10ATM
SCHEMBL18169559 0.86 NR1H2 (0.45) CHRM2CHRM1CHRM3HSD17B10ATM
SCHEMBL6487183 0.85 HSD17B10 (0.45) CHRM2CHRM1CHRM3HSD17B10CYP3A4
SCHEMBL6184784 0.85 HSD17B10 (0.45) CHRM2CHRM1CHRM3HSD17B10CYP3A4
SCHEMBL6183944 0.85 HSD17B10 (0.45) CHRM2CHRM1CHRM3HSD17B10CYP3A4
SCHEMBL3700523 0.85 HSD17B10 (0.45) CHRM2CHRM1CHRM3HSD17B10CYP3A4

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
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS MARTINEZ-PEREZ JOSE ANTONIO 2010-04-15 US disclosed
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
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-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US 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-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, GRIN1 CHRM2 513/4885CHRM1 338/4885CHRM3 581/4885

“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.