SCHEMBL4992913

SCHEMBL4992913

Cc1ccc(CC(C)CC(CN)C(=O)O)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.35
ANPEP P15144 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CYP1A2 P05177 2/20 0.31
PPARG P37231 1/20 0.31
ESR1 P03372 1/20 0.31
KCNH2 Q12809 1/20 0.31
ERAP2 Q6P179 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
SCHEMBL4990975 0.87 SCN4A (0.38) CPB2ANPEPRNPEPDNPEPSLC1A3
SCHEMBL4987972 0.86 GRIK1 (0.31)
SCHEMBL4992803 0.84 CPB2 (0.33) CPB2ANPEPRNPEPDNPEPSLC1A3
SCHEMBL4989982 0.84 GRIK1 (0.35)
SCHEMBL4993579 0.83 CPB2 (0.35) CPB2SLC1A3SLC1A2SLC1A1PPARG
SCHEMBL4986890 0.82 PSMB5 (0.40)
SCHEMBL4988130 0.82 TAAR1 (0.41) CYP1A2
SCHEMBL4989695 0.81 PPARG (0.44) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4990012 0.79 KDM4E (0.35) CPB2ANPEPERAP2
SCHEMBL4992253 0.78 HTT (0.39) CYP1A2PPARG

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 1747/4885ANPEP 750/4885RNPEP 1730/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CPB2 1342/4885ANPEP 691/4885RNPEP 1513/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CPB2 1460/4885ANPEP 644/4885RNPEP 1486/4885

“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.