SCHEMBL3391628

SCHEMBL3391628

CCOC(=O)c1cc2ccccc2cc1OC1CCC2CN(C(=O)OC(C)(C)C)C(C(=O)O)CC2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GRIK1 P39086 6/20 0.35
GRIA2 P42262 4/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL3395047 0.89 GRIK1 (0.47) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL3392587 0.88 MEN1 (0.39) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL3391505 0.87 GRIK1 (0.45) MEN1KMT2AALDH1A1GRIK1GRIA2
SCHEMBL3388752 0.87 GRIK1 (0.45) MEN1KMT2AALDH1A1GRIK1GRIA2
SCHEMBL3391187 0.84 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1GRIK1
SCHEMBL3309302 0.83 MEN1 (0.38) MEN1KMT2ADRD2DRD4HPGD
SCHEMBL3299159 0.80 GRIK1 (0.57) GRIK1GRIA2PDE4B
SCHEMBL3395794 0.80 GRIK1 (0.57) GRIK1GRIA2PDE4B
SCHEMBL3300074 0.78 GRIK1 (0.55) MEN1KMT2AHPGDALDH1A1GRIK1
SCHEMBL3391432 0.78 GRIK1 (0.55) MEN1KMT2AHPGDALDH1A1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166003-A1 Excitatory amino acid receptor antagonists Eli Lilly & Company (US) 2010-03-24 EP 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 (2 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 MEN1 1115/4885KMT2A 1887/4885DRD2 1212/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 MEN1 1115/4885KMT2A 1887/4885DRD2 1212/4885

“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.