SCHEMBL4989656

SCHEMBL4989656

CCC(CCCc1c(O)c(O)c(O)c(O)c1O)CC(CN)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC1A2 P43004 4/20 0.33
SLC1A1 P43005 4/20 0.33
SLC1A3 P43003 3/20 0.33
GRIK1 P39086 4/20 0.33
GRIK2 Q13002 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CPB2 Q96IY4 1/20 0.32
GCLC P48506 2/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL4983439 0.89 BCL2L1 (0.35) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL4986619 0.87 BCL2L1 (0.34) GRIK1TDP1CPB2
SCHEMBL4987313 0.85 GRIK1 (0.34) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL4984158 0.84 CA2 (0.33) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL4988223 0.84 CA2 (0.33) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL4989504 0.84 SLC28A3 (0.34) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL4984609 0.84 GRIK1 (0.37) CA2GRIK1ALDH1A1CPB2HDAC1
SCHEMBL4987957 0.82 GRIK1 (0.38) CA2MAPK1GRIK1ALDH1A1CPB2
SCHEMBL4987643 0.82 ANPEP (0.33) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL4987023 0.82 TDP1 (0.37) CA2MAPK1SLC1A2SLC1A1SLC1A3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 CA2 360/4885MAPK1 2566/4885SLC1A2 57/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CA2 299/4885MAPK1 2534/4885SLC1A2 42/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CA2 319/4885MAPK1 2913/4885SLC1A2 29/4885

“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.