SCHEMBL4983231

SCHEMBL4983231

CC(CC(CN)C(=O)O)c1c(F)ccc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.34
GRIK1 P39086 3/20 0.33
GRIK2 Q13002 3/20 0.33
POLB P06746 1/20 0.32
ANPEP P15144 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
DNPEP Q9ULA0 1/20 0.31
APP P05067 1/20 0.31
ERAP2 Q6P179 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 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
SCHEMBL4987994 0.86 CES2 (0.37) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4986059 0.86 MME (0.33) MMESLC1A3SLC1A2
SCHEMBL4992783 0.85 MME (0.33) MMEGRIK1GRIK2ANPEPRNPEP
SCHEMBL4990679 0.84 MME (0.31) MMESLC1A3SLC1A2
SCHEMBL4990456 0.84 CES2 (0.39) MMEGRIK1GRIK2POLB
SCHEMBL4990527 0.82 MME (0.35) MMEGRIK1GRIK2APPSLC1A3
SCHEMBL4987451 0.82 SLC1A3 (0.35) GRIK1GRIK2ANPEPCACNA2D1CACNB3
SCHEMBL4990789 0.80 PTGES (0.33) MMEGRIK1GRIK2SLC1A3SLC1A2
SCHEMBL4983604 0.79 CES2 (0.40) POLBANPEPRNPEPDNPEP
SCHEMBL4983801 0.78 MME (0.35) MMEGRIK1GRIK2ANPEPRNPEP

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 MME 2393/4885GRIK1 413/4885GRIK2 201/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MME 2286/4885GRIK1 304/4885GRIK2 177/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MME 2084/4885GRIK1 415/4885GRIK2 196/4885

“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.