SCHEMBL4991467

SCHEMBL4991467

CCC(CCCc1c(Cl)cc(Cl)cc1Cl)CC(CN)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GRIK1 P39086 2/20 0.32
CPB2 Q96IY4 1/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 2/20 0.31
CA2 P00918 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
PDE4A P27815 1/20 0.30
ADRA1A P35348 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
HMGCR P04035 1/20 0.30
MME P08473 1/20 0.30
ACLY P53396 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
SCHEMBL4991067 0.92 HMGCR (0.33) MAPK1ALDH1A1GRIK1CPB2MMP2
SCHEMBL4991232 0.88 CPB2 (0.30) GRIK1CPB2
SCHEMBL4990076 0.88 GRIK1 (0.32) MAPK1GRIK1CPB2CA2CHRM1
SCHEMBL4984591 0.88 TAAR1 (0.37) MAPK1ALDH1A1GRIK1MMP2MMP3
SCHEMBL4981718 0.87 ACLY (0.33) MAPK1ALDH1A1CPB2ACLY
SCHEMBL4983661 0.86 GRIK1 (0.37) MAPK1GRIK1CPB2MMP2MMP3
SCHEMBL4992149 0.85 GRIK1 (0.33) GRIK1MMP2MMP3LMNAHMGCR
SCHEMBL4990596 0.84 ACLY (0.47) MAPK1ALDH1A1ACLY
SCHEMBL4986560 0.84 CPB2 (0.35) GRIK1CPB2CHRM1TBXA2RPDE4A
SCHEMBL4988223 0.84 CA2 (0.33) MAPK1ALDH1A1GRIK1CPB2CA2

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 MAPK1 2566/4885ALDH1A1 1484/4885GRIK1 413/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MAPK1 2534/4885ALDH1A1 1627/4885GRIK1 304/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MAPK1 2913/4885ALDH1A1 1424/4885GRIK1 415/4885

“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.