SCHEMBL3300074

SCHEMBL3300074

CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3cc(Cl)ccc3C(=O)O)C[C@@H]2C[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 15/20 0.55
GRIA2 P42262 10/20 0.46
ALDH1A1 P00352 1/20 0.37
PDE4B Q07343 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
P2RX3 P56373 1/20 0.35
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL3391432 1.00 GRIK1 (0.55) GRIK1GRIA2ALDH1A1PDE4BMEN1
SCHEMBL3391505 0.91 GRIK1 (0.45) GRIK1GRIA2ALDH1A1MEN1KMT2A
SCHEMBL3395794 0.88 GRIK1 (0.57) GRIK1GRIA2PDE4B
SCHEMBL3299159 0.88 GRIK1 (0.57) GRIK1GRIA2PDE4B
SCHEMBL3388752 0.85 GRIK1 (0.45) GRIK1GRIA2ALDH1A1MEN1KMT2A
SCHEMBL3389093 0.85 GRIK1 (0.39) GRIK1GRIA2PDE4B
SCHEMBL3303656 0.85 GRIK1 (0.39) GRIK1GRIA2PDE4B
SCHEMBL3395793 0.85 GRIK1 (0.41) GRIK1GRIA2ALDH1A1P2RX3
SCHEMBL3395047 0.79 GRIK1 (0.47) GRIK1GRIA2ALDH1A1MEN1HPGD
SCHEMBL3391628 0.78 MEN1 (0.43) GRIK1GRIA2ALDH1A1PDE4BMEN1

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 1 patent. 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

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 GRIK1 8/4885GRIA2 14/4885ALDH1A1 1633/4885

“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.