SCHEMBL4990076

SCHEMBL4990076

CCC(CCCc1c(Cl)c(Cl)cc(Cl)c1Cl)CC(CN)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.32
CPB2 Q96IY4 1/20 0.31
HIF1A Q16665 2/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL4991232 0.93 CPB2 (0.30) GRIK1CPB2
SCHEMBL4992881 0.92 CPB2 (0.32) CPB2HIF1ACHRM1TBXA2RPDE4A
SCHEMBL4988223 0.90 CA2 (0.33) GRIK1CPB2CA2MAPK1CHRM1
SCHEMBL4988054 0.89 GRIK1 (0.33) GRIK1CPB2
SCHEMBL4991467 0.88 MAPK1 (0.34) GRIK1CPB2HIF1ACA2MAPK1
SCHEMBL4986994 0.85 CPB2 (0.30) GRIK1CPB2
SCHEMBL4986228 0.85 CPB2 (0.31) CPB2HIF1ACHRM1TBXA2RPDE4A
SCHEMBL4984591 0.85 TAAR1 (0.37) GRIK1HIF1AMAPK1ADRA1ALMNA
SCHEMBL4984052 0.85 HIF1A (0.35) GRIK1HIF1AMAPK1CHRM1TBXA2R
SCHEMBL4981718 0.84 ACLY (0.33) CPB2MAPK1

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 413/4885CPB2 1747/4885HIF1A 622/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885CPB2 1342/4885HIF1A 702/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885CPB2 1460/4885HIF1A 714/4885

“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.