SCHEMBL4984587

SCHEMBL4984587

CCC(CCc1c(O)cccc1O)CC(CN)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
CPB2 Q96IY4 1/20 0.33
LMNA P02545 1/20 0.33
SLC1A3 P43003 3/20 0.32
SLC1A2 P43004 3/20 0.32
SLC1A1 P43005 3/20 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
KAT8 Q9H7Z6 2/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
EP300 Q09472 1/20 0.31
KAT2A Q92830 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
SCHEMBL4984609 0.92 GRIK1 (0.37) GRIK1CPB2LMNABIDMCL1
SCHEMBL4984156 0.88 CPB2 (0.34) GRIK1CPB2LMNASLC1A3SLC1A2
SCHEMBL4992991 0.86 PTPN1 (0.33) GRIK1CPB2LMNASLC1A3SLC1A2
SCHEMBL4990010 0.86 PPARG (0.34) GRIK1CPB2LMNASLC1A3SLC1A2
SCHEMBL4986170 0.86 CPB2 (0.36) CPB2LMNASLC1A3SLC1A2SLC1A1
SCHEMBL4990872 0.86 IAPP (0.45) BIDMCL1BCL2L1BAK1
SCHEMBL4990014 0.85 TAAR1 (0.39) GRIK1CPB2LMNAKDM4EHIF1A
SCHEMBL4981775 0.85 TAAR1 (0.41) GRIK1LMNABIDMCL1BCL2L1
SCHEMBL4985864 0.85 KDM4E (0.33) GRIK1CPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4991251 0.85 GRIK1 (0.35) GRIK1SLC1A3SLC1A2SLC1A1GRM2

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 413/4885CPB2 1747/4885LMNA 2822/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885CPB2 1342/4885LMNA 2247/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885CPB2 1460/4885LMNA 2797/4885

“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.