SCHEMBL4993544

SCHEMBL4993544

CCC(Cc1c(C)cccc1C)CC(CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.38
CPB2 Q96IY4 1/20 0.36
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
CYP1A2 P05177 2/20 0.34
NR3C1 P04150 1/20 0.34
PPARA Q07869 2/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
ANPEP P15144 2/20 0.33
RNPEP Q9H4A4 1/20 0.33

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
SCHEMBL4994542 0.87 CPB2 (0.35) PPARGCPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4990010 0.86 PPARG (0.34) PPARGCPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4986170 0.86 CPB2 (0.36) PPARGCPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4983557 0.86 CPB2 (0.36) PPARGCPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4987957 0.85 GRIK1 (0.38) PPARGCPB2PPARAPTGESALOX5
SCHEMBL4987097 0.85 PPARG (0.41) PPARGCPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4981486 0.84 AKR1B1 (0.39) PPARGCPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4986351 0.84 CPB2 (0.35) PPARGCPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4989384 0.84 CPB2 (0.35) PPARGCPB2SLC1A3SLC1A2SLC1A1
SCHEMBL4986612 0.84 PPARG (0.48) PPARGCPB2SLC1A3SLC1A2SLC1A1

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 1820/4885CPB2 1747/4885SLC1A3 118/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885CPB2 1342/4885SLC1A3 128/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885CPB2 1460/4885SLC1A3 104/4885

“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.