SCHEMBL4986291

SCHEMBL4986291

CC(CCCc1c(O)cccc1O)CC(CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.40
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
ANPEP P15144 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
CYP1A2 P05177 1/20 0.32
CPB2 Q96IY4 1/20 0.32
ALOX5 P09917 1/20 0.32
BID P55957 3/20 0.31
MCL1 Q07820 3/20 0.31
BCL2L1 Q07817 2/20 0.31
BAK1 Q16611 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31

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
SCHEMBL4991251 0.92 GRIK1 (0.35) GRIK1GRM2GRM3ANPEPRNPEP
SCHEMBL4988162 0.89 GRIK1 (0.40) GRIK1GRM2GRM3ANPEPRNPEP
SCHEMBL4987350 0.88 GRIK1 (0.36) GRIK1GRM2GRM3CPB2KDM4E
SCHEMBL4986615 0.86 TAAR1 (0.39) GRIK1GRM2GRM3HIF1A
SCHEMBL4993615 0.86 GRIK1 (0.38) GRIK1GRM2GRM3CPB2
SCHEMBL4983480 0.86 SLC28A3 (0.36) GRIK1CPB2ALOX5
SCHEMBL4989649 0.85 IAPP (0.44) GRIK1BIDMCL1BCL2L1BAK1
SCHEMBL4984609 0.85 GRIK1 (0.37) GRIK1GRM2GRM3CPB2BID
SCHEMBL4984834 0.85 TAAR1 (0.42) GRIK1GRM2GRM3BIDMCL1
SCHEMBL4990715 0.84 GRIK1 (0.38) GRIK1HIF1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 GRIK1 413/4885GRM2 302/4885GRM3 805/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885GRM2 241/4885GRM3 637/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885GRM2 274/4885GRM3 748/4885

“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.