SCHEMBL4986561

SCHEMBL4986561

CCC(CCCc1cccc(C)c1C)CC(CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.36
PTGES O14684 5/20 0.35
ALOX5 P09917 5/20 0.35
PPARA Q07869 4/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
GRIK1 P39086 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
LMNA P02545 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 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
SCHEMBL4986368 0.93 PPARG (0.37) PPARGPTGESALOX5PPARAMMP2
SCHEMBL4989053 0.90 PPARG (0.42) PPARGMMP2MMP3GRIK1CYSLTR2
SCHEMBL4991583 0.89 GRIK1 (0.33) PPARGGRIK1
SCHEMBL4987957 0.88 GRIK1 (0.38) PPARGPTGESALOX5PPARAMMP2
SCHEMBL4994110 0.85 GRIK1 (0.36) PPARGPTGESALOX5PPARAMMP2
SCHEMBL4987097 0.85 PPARG (0.41) PPARGPTGESALOX5PPARALMNA
SCHEMBL4984237 0.84 GRIK1 (0.35) PPARGPTGESALOX5PPARAGRIK1
SCHEMBL4986739 0.83 GRIK1 (0.35) PPARGPTGESALOX5MMP2MMP3
SCHEMBL4986825 0.83 IAPP (0.43) PPARGPPARA
SCHEMBL4983988 0.83 LNPEP (0.31) GRIK1

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 1820/4885PTGES 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.