SCHEMBL4986368

SCHEMBL4986368

CCC(CCc1cccc(C)c1C)CC(CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.37
PTGES O14684 2/20 0.34
ALOX5 P09917 2/20 0.34
PPARA Q07869 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
LMNA P02545 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
GRIK1 P39086 1/20 0.32
CPB2 Q96IY4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
GLA P06280 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
SCHEMBL4986561 0.93 PPARG (0.36) PPARGPTGESALOX5PPARAMMP2
SCHEMBL4989035 0.90 PPARG (0.44) PPARGPPARAGRIK1ALDH1A1HPGD
SCHEMBL4984253 0.89 CPB2 (0.32) PPARGCPB2
SCHEMBL4987097 0.87 PPARG (0.41) PPARGPTGESALOX5PPARALMNA
SCHEMBL4990010 0.86 PPARG (0.34) PPARGPTGESALOX5PPARAMMP2
SCHEMBL4987597 0.85 ESR1 (0.34) PPARGPTGESALOX5PPARAMMP2
SCHEMBL4990872 0.82 IAPP (0.45)
SCHEMBL4989053 0.82 PPARG (0.42) PPARGMMP2MMP3GRIK1ALDH1A1
SCHEMBL4993272 0.82 RIPK1 (0.36) PPARGPTGESALOX5MMP2MMP3
SCHEMBL4992413 0.82 ANPEP (0.32) CPB2ALDH1A1ANPEPERAP1

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 1820/4885PTGES 1711/4885ALOX5 4584/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885PTGES 1056/4885ALOX5 4087/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885PTGES 1514/4885ALOX5 4324/4885

“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.