SCHEMBL3300496

SCHEMBL3300496

CCOC(=O)c1cc(Cl)ccc1O[C@H]1CC[C@H]2C(CC)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.40
GRIA2 P42262 4/20 0.40
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.37
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
RBP4 P02753 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
SCHEMBL3305704 0.94 GRIK1 (0.40) GRIK1GRIA2TP53POLBKMT2A
SCHEMBL3303205 0.88 SMN1; SMN2 (0.35) TP53KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3303210 0.88 SMN1; SMN2 (0.35) TP53KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3309302 0.87 MEN1 (0.38) TP53POLBKMT2AMEN1ALDH1A1
SCHEMBL3297263 0.87 MEN1 (0.34) GRIK1GRIA2TP53POLBKMT2A
SCHEMBL3301475 0.86 FPR2 (0.36) GRIK1GRIA2CNR2RBP4
SCHEMBL3305097 0.84 GRIK1 (0.41) GRIK1GRIA2TP53POLBKMT2A
SCHEMBL3388752 0.83 GRIK1 (0.45) GRIK1GRIA2TP53POLBKMT2A
SCHEMBL3303406 0.78 GRIK1 (0.35) GRIK1GRIA2
SCHEMBL3303849 0.77 GPR119 (0.35) KMT2AMEN1

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 14/4885TP53 4769/4885

“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.