SCHEMBL3306973

SCHEMBL3306973

CCC1[C@@H]2CC[C@H](Oc3cc(OC)ccc3C#N)C[C@@H]2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
AR P10275 1/20 0.35
GRIA2 P42262 3/20 0.34
PDE4B Q07343 6/20 0.33
PDE4A P27815 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
STS P08842 1/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3303406 0.91 GRIK1 (0.35) GRIK1GPR119ARGRIA2PDE4B
SCHEMBL3303849 0.88 GPR119 (0.35) GPR119ARTBK1MEN1KMT2A
SCHEMBL3301475 0.87 FPR2 (0.36) GRIK1GPR119GRIA2IKBKETBK1
SCHEMBL3394767 0.81 GRIK1 (0.42) GRIK1NPC1RAB9AGPR119AR
SCHEMBL6837084 0.79 GPR119 (0.39) GRIK1NPC1RAB9AGPR119AR
SCHEMBL3300235 0.79 GRIK1 (0.34) GRIK1GPR119GRIA2
SCHEMBL3309302 0.77 MEN1 (0.38) GPR119KDM4EALDH1A1GAAMAPT
SCHEMBL3300496 0.76 GRIK1 (0.40) GRIK1GRIA2ALDH1A1GAAHTT
SCHEMBL3305704 0.76 GRIK1 (0.40) GRIK1GRIA2KDM4EALDH1A1GAA
SCHEMBL3297263 0.75 MEN1 (0.34) GRIK1GPR119GRIA2PDE4BKDM4E

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 8/4885NPC1 1869/4885RAB9A 1434/4885

“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.