SCHEMBL4993579

SCHEMBL4993579

CCC(Cc1ccc(C)c(C)c1C)CC(CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.35
PPARG P37231 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
NR3C1 P04150 2/20 0.30
PGR P06401 2/20 0.30
NR3C2 P08235 2/20 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
SCHEMBL4987097 0.88 PPARG (0.41) CPB2PPARGSLC1A3SLC1A2SLC1A1
SCHEMBL4984253 0.87 CPB2 (0.32) CPB2PPARGSMN1; SMN2SLC1A3SLC1A2
SCHEMBL4985190 0.86 CPB2 (0.35) CPB2PPARGSLC1A3SLC1A2SLC1A1
SCHEMBL4994542 0.85 CPB2 (0.35) CPB2PPARGSMN1; SMN2SLC1A3SLC1A2
SCHEMBL4991583 0.85 GRIK1 (0.33) CPB2PPARGGRIK1
SCHEMBL4991134 0.84 NR3C1 (0.40) CPB2PPARGPPARDPPARANR3C1
SCHEMBL4991353 0.84 TAAR1 (0.41) CPB2PPARGSMN1; SMN2PPARDPPARA
SCHEMBL4992913 0.83 CPB2 (0.35) CPB2PPARGSLC1A3SLC1A2SLC1A1
SCHEMBL4986612 0.82 PPARG (0.48) CPB2PPARGSLC1A3SLC1A2SLC1A1
SCHEMBL4984618 0.80 CPB2 (0.34) CPB2PPARGSLC1A3SLC1A2SLC1A1

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 CPB2 1747/4885PPARG 1820/4885SMN1; SMN2 1368/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CPB2 1342/4885PPARG 1405/4885SMN1; SMN2 1347/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CPB2 1460/4885PPARG 1828/4885SMN1; SMN2 1393/4885

“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.