SCHEMBL4985902

SCHEMBL4985902

CCC(CCc1ccc(Cl)c(Cl)c1Cl)CC(CN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.32
GRIK2 Q13002 3/20 0.32
CPB2 Q96IY4 1/20 0.31
CLCN2 P51788 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
EPHX2 P34913 1/20 0.30
PPARG P37231 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
SCHEMBL4994204 0.93 GRIK1 (0.33) GRIK1GRIK2CPB2CLCN2
SCHEMBL4990845 0.90 CPB2 (0.31) CPB2
SCHEMBL4995065 0.89 TAAR1 (0.43) GRIK1GRIK2ALDH1A1SLC6A2SLC6A4
SCHEMBL4987056 0.87 CPB2 (0.34) GRIK1GRIK2CPB2CLCN2ALDH1A1
SCHEMBL4993917 0.86 CPB2 (0.32) GRIK1GRIK2CPB2EPHX2PPARG
SCHEMBL4987465 0.84 SLC6A2 (0.31) CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL4983805 0.84 PTGDR2 (0.35) GRIK1GRIK2ALDH1A1EPHX2PPARG
SCHEMBL4981425 0.84 ACLY (0.43)
SCHEMBL4993529 0.84 SLC6A2 (0.46) GRIK1GRIK2ALDH1A1SLC6A2SLC6A4
SCHEMBL4986994 0.83 CPB2 (0.30) GRIK1CPB2

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 GRIK1 413/4885GRIK2 201/4885CPB2 1747/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885GRIK2 177/4885CPB2 1342/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885GRIK2 196/4885CPB2 1460/4885

“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.