SCHEMBL4986518

SCHEMBL4986518

CCC(CC(CN)C(=O)O)c1cc(Cl)cc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
MME P08473 3/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
EPHX2 P34913 1/20 0.32
PPARG P37231 1/20 0.32
GABBR2 O75899 3/20 0.31
GABBR1 Q9UBS5 3/20 0.31
LMNA P02545 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
NFKB1 P19838 1/20 0.31
DRD3 P35462 1/20 0.31
BLM P54132 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL4986512 0.88 SLC1A3 (0.33) GRIK1GRIK2MMESLC1A3SLC1A2
SCHEMBL4986118 0.86 GRIK1 (0.35) GRIK1GRIK2MMESLC1A3SLC1A2
SCHEMBL4990909 0.85 MME (0.38) GRIK1GRIK2MMEEPHX2PPARG
SCHEMBL4992273 0.84 LMNA (0.41) LMNA
SCHEMBL4993918 0.83 GRN (0.34) GRIK1GRIK2MMEEPHX2PPARG
SCHEMBL4989038 0.82 SLC1A3 (0.34) GRIK1GRIK2MMESLC1A3SLC1A2
SCHEMBL4987148 0.81 MEN1 (0.43) GRIK1GRIK2LMNACYP3A4NFKB1
SCHEMBL4984373 0.81 GRN (0.33) GRIK1GRIK2CYP3A4GRNSORT1
SCHEMBL4981583 0.81 SLC1A3 (0.33) GRIK1GRIK2MMESLC1A3SLC1A2
SCHEMBL4991024 0.80 GRN (0.38) GRIK1GRIK2MMESLC1A3SLC1A2

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 201/4885MME 2393/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885GRIK2 177/4885MME 2286/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885GRIK2 196/4885MME 2084/4885

“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.