SCHEMBL3300507

SCHEMBL3300507

COc1cccc(O[C@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@H]3C2)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.38
GRIK1 P39086 5/20 0.37
GRIA2 P42262 2/20 0.35
GPR119 Q8TDV5 5/20 0.35
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
UCHL1 P09936 1/20 0.33
AR P10275 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
SCHEMBL3394746 1.00 PDE4B (0.38) PDE4BGRIK1GRIA2GPR119PDE4A
SCHEMBL3394535 0.90 GRIK1 (0.42) GRIK1GRIA2GPR119AR
SCHEMBL5640115 0.90 GPR119 (0.36) GRIK1GRIA2GPR119UCHL1AR
SCHEMBL3303900 0.90 GPR119 (0.36) GRIK1GRIA2GPR119UCHL1AR
SCHEMBL3391573 0.90 GPR119 (0.36) GRIK1GRIA2GPR119UCHL1AR
SCHEMBL3303727 0.90 GRIK1 (0.42) GRIK1GRIA2GPR119AR
SCHEMBL3395739 0.86 GRIK1 (0.37) GRIK1GRIA2GPR119UCHL1AR
SCHEMBL3394767 0.83 GRIK1 (0.42) PDE4BGRIK1GRIA2GPR119AR
SCHEMBL3303581 0.82 GPR119 (0.37) PDE4BGRIK1GRIA2GPR119AR
SCHEMBL3303609 0.82 GPR119 (0.39) PDE4BGRIK1GRIA2GPR119AR

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 PDE4B 3213/4885GRIK1 8/4885GRIA2 14/4885

“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.