SCHEMBL4987663

SCHEMBL4987663

CC(Cc1cc(Cl)cc(Cl)c1)CC(CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.38
SORT1 Q99523 3/20 0.38
ACE2 Q9BYF1 4/20 0.36
ACE P12821 3/20 0.36
MME P08473 2/20 0.35
CPB2 Q96IY4 2/20 0.35
ANPEP P15144 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
APP P05067 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL4991032 0.86 PNMT (0.53) ANPEPRNPEPDNPEPPPARG
SCHEMBL4986563 0.85 PPARG (0.48) MMEANPEPRNPEPDNPEPEPHX2
SCHEMBL1814372 0.84 CYP1A2 (0.42) CPB2ANPEPEPHX2PPARG
SCHEMBL1816838 0.84 CYP1A2 (0.42) CPB2ANPEPEPHX2PPARG
SCHEMBL4986623 0.84 MME (0.35) GRNSORT1MMECPB2APP
SCHEMBL4989232 0.83 ANPEP (0.41) CPB2ANPEPRNPEPDNPEP
SCHEMBL4989063 0.83 ANPEP (0.35) CPB2ANPEPRNPEPDNPEP
SCHEMBL4984267 0.83 GRIK1 (0.39) GRNSORT1MMEAPPPPARG
SCHEMBL4985166 0.82 EPHX2 (0.38) GRNSORT1ACE2ACEMME
SCHEMBL4989888 0.82 SLC1A1 (0.35) MMECPB2ANPEPRNPEPDNPEP

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 GRN 4132/4885SORT1 3772/4885ACE2 897/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRN 4117/4885SORT1 4003/4885ACE2 760/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRN 4189/4885SORT1 3858/4885ACE2 809/4885

“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.