SCHEMBL4994963

SCHEMBL4994963

CCC(Cc1cc(Cl)cc(Cl)c1Cl)CC(CN)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.34
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
PDE4A P27815 1/20 0.31
ADRA1A P35348 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
PPARA Q07869 1/20 0.31
MME P08473 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 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
SCHEMBL4990232 0.88 CPB2 (0.34) CPB2EPHX2PPARGCHRM1TBXA2R
SCHEMBL4987465 0.88 SLC6A2 (0.31) CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL4981718 0.85 ACLY (0.33) CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL4986560 0.85 CPB2 (0.35) CPB2EPHX2PPARGCHRM1TBXA2R
SCHEMBL4986906 0.85 HDAC8 (0.42) EPHX2PPARGLMNACYP1A2CYP2C9
SCHEMBL4993868 0.85 POLB (0.40) CPB2EPHX2PPARGCYP1A2CYP2C9
SCHEMBL4993047 0.84 SLC6A2 (0.36) CPB2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4984866 0.83 CPB2 (0.35) CPB2EPHX2PPARGSLC6A2SLC6A4
SCHEMBL4990095 0.82 PNMT (0.41) CPB2SLC6A2SLC6A4GRIK1GRIK2
SCHEMBL4985166 0.81 EPHX2 (0.38) CPB2EPHX2PPARGCHRM1TBXA2R

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 CPB2 1747/4885EPHX2 3970/4885PPARG 1820/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CPB2 1342/4885EPHX2 3738/4885PPARG 1405/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CPB2 1460/4885EPHX2 3738/4885PPARG 1828/4885

“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.