SCHEMBL4990884

SCHEMBL4990884

CCC(CC(CN)C(=O)O)c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
ACP3 P15309 1/20 0.36
CYP1A2 P05177 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NR3C2 P08235 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR4A2 P43354 1/20 0.34
PPARA Q07869 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
SCHEMBL4984969 0.89 LMNA (0.36) PPARGGRIK1GRIK2SLC1A3SLC1A2
SCHEMBL4991102 0.85 TSHR (0.45) PPARGGRIK1GRIK2SLC1A3SLC1A2
SCHEMBL4983956 0.84 GAA (0.38) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL4984391 0.84 NISCH (0.42) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL4993701 0.84 PPARG (0.37) PPARGGRIK1GRIK2SLC1A3SLC1A2
SCHEMBL4986236 0.83 POLB (0.50) PPARGGRIK1GRIK2ALDH1A1KMT2A
SCHEMBL4987895 0.83 GRM1 (0.36) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL4984919 0.83 SMN1; SMN2 (0.35) PPARGGRIK1GRIK2SLC1A3SLC1A2
SCHEMBL4985210 0.82 NR3C2 (0.40) PPARGSLC1A3SLC1A2SLC1A1GRM2
SCHEMBL17347854 0.82 SLC1A3 (0.44) GRIK1GRIK2SLC1A3SLC1A2SLC1A1

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 8 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 PPARG 1820/4885GRIK1 413/4885GRIK2 201/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885GRIK1 304/4885GRIK2 177/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885GRIK1 415/4885GRIK2 196/4885

“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.