SCHEMBL3305319

SCHEMBL3305319

Cc1ccc(O[C@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@H]3C2)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.41
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRIA2 P42262 3/20 0.39
TBK1 Q9UHD2 7/20 0.37
AR P10275 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PDE4B Q07343 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
IKBKE Q14164 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
SCHEMBL3394761 1.00 GRIK1 (0.41) GRIK1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL3393330 0.95 GRIK1 (0.41) GRIK1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL3392673 0.90 GPR119 (0.39) GRIK1GRIA2TBK1ARNR1H2
SCHEMBL3303609 0.90 GPR119 (0.39) GRIK1GRIA2TBK1ARNR1H2
SCHEMBL3395793 0.90 GRIK1 (0.41) GRIK1GRIA2TBK1ARNR1H2
SCHEMBL3395739 0.88 GRIK1 (0.37) GRIK1GRIA2ARGPR119
SCHEMBL3393487 0.87 AR (0.37) GRIK1GRIA2TBK1ARNR1H2
SCHEMBL3298914 0.87 AR (0.37) GRIK1GRIA2TBK1ARNR1H2
SCHEMBL3394767 0.86 GRIK1 (0.42) GRIK1GRIA2TBK1ARNR1H2
SCHEMBL3308660 0.81 GPR119 (0.36) GRIK1GRIA2TBK1ARGPR119

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 8/4885CYP1A2 2346/4885POLB 4013/4885

“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.