SCHEMBL3305699

SCHEMBL3305699

COC(=O)N1C[C@@H]2CC[C@H](Oc3cc(-c4cccs4)ccc3C#N)C[C@@H]2C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.43
GRIA2 P42262 4/20 0.43
HDAC1 Q13547 10/20 0.36
HDAC2 Q92769 10/20 0.36
HDAC3 O15379 5/20 0.34
GHSR Q92847 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
SCHEMBL3425412 1.00 GRIK1 (0.43) GRIK1GRIA2HDAC1HDAC2HDAC3
SCHEMBL3391722 0.78 GPR119 (0.36) GRIK1GRIA2
SCHEMBL3308660 0.78 GPR119 (0.36) GRIK1GRIA2
SCHEMBL3394767 0.77 GRIK1 (0.42) GRIK1GRIA2
SCHEMBL3393330 0.77 GRIK1 (0.41) GRIK1GRIA2
SCHEMBL3298914 0.76 AR (0.37) GRIK1GRIA2
SCHEMBL3393487 0.76 AR (0.37) GRIK1GRIA2
SCHEMBL3395739 0.75 GRIK1 (0.37) GRIK1GRIA2
SCHEMBL6488979 0.74 FABP5 (0.40) GRIK1GRIA2
SCHEMBL3394761 0.73 GRIK1 (0.41) GRIK1GRIA2

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 14/4885HDAC1 2504/4885

“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.