SCHEMBL4984969

SCHEMBL4984969

CCC(CC(CN)C(=O)O)c1cccc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
PPARG P37231 5/20 0.35
PPARA Q07869 3/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
CTSA P10619 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
MAPK1 P28482 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
SCHEMBL4990884 0.89 PPARG (0.39) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL4986566 0.87 SLC1A3 (0.33) PPARGSLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL4993701 0.84 PPARG (0.37) LMNAPPARGPPARASLC1A3SLC1A2
SCHEMBL4993588 0.83 LMNA (0.35) LMNAPPARGPPARAPTGESALOX5
SCHEMBL27644237 0.83 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL4987259 0.81 CYP1A2 (0.33) LMNAPPARGPPARAPTGESALOX5
SCHEMBL4986372 0.81 BCHE (0.41) PPARGALOX5SLC1A3SLC1A2SLC1A1
SCHEMBL4986464 0.81 HTT (0.34) LMNASLC1A3SLC1A2SLC1A1
SCHEMBL4991102 0.80 TSHR (0.45) LMNAPPARGPPARASLC1A3SLC1A2
SCHEMBL4993293 0.80 SLC1A3 (0.34) PPARGSLC1A3SLC1A2SLC1A1GRIK1

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 LMNA 2822/4885PPARG 1820/4885PPARA 1454/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A LMNA 2247/4885PPARG 1405/4885PPARA 1126/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A LMNA 2797/4885PPARG 1828/4885PPARA 1324/4885

“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.