SCHEMBL4993701

SCHEMBL4993701

CCC(CC(CN)C(=O)O)c1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.37
CXCR5 P32302 1/20 0.36
SLC1A1 P43005 3/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
NR4A2 P43354 1/20 0.35
PPARA Q07869 1/20 0.35
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
LMNA P02545 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
CYP1A2 P05177 1/20 0.33
PLA2G10 O15496 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
SCHEMBL4993293 0.87 SLC1A3 (0.34) PPARGSLC1A1SLC1A3SLC1A2NR4A2
SCHEMBL4985057 0.85 SLC6A2 (0.38) SLC1A1SLC1A3SLC1A2LMNAAKR1C3
SCHEMBL4993490 0.85 SLC1A1 (0.35) PPARGSLC1A1SLC1A3SLC1A2NR4A2
SCHEMBL4984969 0.84 LMNA (0.36) PPARGSLC1A1SLC1A3SLC1A2PPARA
SCHEMBL4990884 0.84 PPARG (0.39) PPARGSLC1A1SLC1A3SLC1A2NR4A2
SCHEMBL4993489 0.84 AKR1C3 (0.36) SLC1A1SLC1A3SLC1A2NR4A2AKR1C3
SCHEMBL4981699 0.84 GRIK1 (0.43) PPARGSLC1A1SLC1A3SLC1A2NR4A2
SCHEMBL27644326 0.81 SLC1A1 (0.44) SLC1A1SLC1A3SLC1A2GRM2GRM3
SCHEMBL4986018 0.81 PPARG (0.36) PPARGSLC1A1SLC1A3SLC1A2GRM2
SCHEMBL4990285 0.81 GRIK1 (0.41) PPARGPPARAGRIK1GRIK2

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 PPARG 1820/4885CXCR5 4565/4885SLC1A1 106/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885CXCR5 4685/4885SLC1A1 111/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885CXCR5 4550/4885SLC1A1 91/4885

“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.