SCHEMBL4990010

SCHEMBL4990010

CCC(CCc1c(C)cccc1C)CC(CN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
GRIK1 P39086 2/20 0.33
CPB2 Q96IY4 1/20 0.33
SLC1A3 P43003 3/20 0.32
SLC1A2 P43004 3/20 0.32
SLC1A1 P43005 3/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARA Q07869 1/20 0.32
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GRIK2 Q13002 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4987957 0.93 GRIK1 (0.38) PPARGMMP2MMP3GRIK1CPB2
SCHEMBL4990867 0.88 CPB2 (0.32) GRIK1CPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4989806 0.86 ANPEP (0.33) GRIK1CPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4984587 0.86 GRIK1 (0.33) PPARGGRIK1CPB2SLC1A3SLC1A2
SCHEMBL4993544 0.86 PPARG (0.38) PPARGCPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4986368 0.86 PPARG (0.37) PPARGMMP2MMP3GRIK1CPB2
SCHEMBL4990014 0.85 TAAR1 (0.39) GRIK1CPB2GRIK2LMNA
SCHEMBL4985864 0.85 KDM4E (0.33) MMP2MMP3GRIK1CPB2SLC1A3
SCHEMBL4989035 0.85 PPARG (0.44) PPARGGRIK1PPARA
SCHEMBL4987815 0.83 SCN4A (0.36) MMP2MMP3GRIK1GRM2GRM3

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 1820/4885MMP2 4647/4885MMP3 4661/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885MMP2 4713/4885MMP3 4708/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885MMP2 4616/4885MMP3 4643/4885

“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.