SCHEMBL4986563

SCHEMBL4986563

CC(Cc1ccc(Cl)cc1)CC(CN)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
EPHX2 P34913 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PPARA Q07869 4/20 0.44
FDFT1 P37268 2/20 0.44
KMT2A Q03164 1/20 0.42
MME P08473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SLC6A4 P31645 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40
ACACB O00763 1/20 0.40
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40

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
SCHEMBL4990096 0.86 SLC7A5 (0.51) SLC6A2MMEANPEPRNPEPDNPEP
SCHEMBL4987946 0.86 CYP1A2 (0.41) PPARGPPARAKMT2AMMELMNA
SCHEMBL4987663 0.85 GRN (0.38) PPARGEPHX2MMEANPEPRNPEP
SCHEMBL4989923 0.85 MME (0.43) PPARGPPARAKMT2AMMELMNA
SCHEMBL4983468 0.84 PNMT (0.50) FDFT1KMT2AGRIK1GRIK2
SCHEMBL4619329 0.84 PPARG (0.55) PPARGEPHX2PPARAKMT2ALMNA
SCHEMBL4991032 0.83 PNMT (0.53) PPARGPPARAGRIK1GRIK2ANPEP
SCHEMBL4986640 0.83 PPARA (0.49) PPARGEPHX2PPARAMMEALDH1A1
SCHEMBL4987975 0.82 PPARG (0.52) PPARGEPHX2SLC6A2SLC6A3PPARA
SCHEMBL4990957 0.82 LDHA (0.58) PPARGPPARAKMT2ASLC6A4GRIK1

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 1820/4885EPHX2 3970/4885SLC6A2 368/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885EPHX2 3738/4885SLC6A2 350/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885EPHX2 3738/4885SLC6A2 320/4885

“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.