SCHEMBL4990830

SCHEMBL4990830

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32
ANPEP P15144 1/20 0.31
RNPEP Q9H4A4 1/20 0.31
DNPEP Q9ULA0 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 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
SCHEMBL4991432 0.87 SCN4A (0.34) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4990146 0.85 ALDH1A1 (0.33) ALDH1A1CYP2C19ANPEPRNPEPDNPEP
SCHEMBL4992591 0.84 GRM1 (0.33) ALDH1A1CYP2C19ANPEPRNPEPDNPEP
SCHEMBL27665563 0.82 SLC7A5 (0.43) SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL4987604 0.81 SLC6A2 (0.38) ALDH1A1CYP2C19ANPEPSLC1A3SLC1A2
SCHEMBL4987259 0.80 CYP1A2 (0.33) ALDH1A1CYP2C19ANPEPRNPEPDNPEP
SCHEMBL4993293 0.79 SLC1A3 (0.34) CYP2C19SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL4992533 0.78 TDP1 (0.39) ALDH1A1CYP2C19TDP1GRIK1GRIK2
SCHEMBL4994363 0.78 ANPEP (0.34) ANPEPRNPEPDNPEPTDP1SLC1A3
SCHEMBL4989183 0.77 ALDH1A1 (0.40) ALDH1A1CYP2C19TDP1GRIK1GRIK2

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 ALDH1A1 1484/4885CYP2C19 2964/4885ANPEP 750/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885CYP2C19 3207/4885ANPEP 691/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885CYP2C19 2842/4885ANPEP 644/4885

“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.