SCHEMBL4989232

SCHEMBL4989232

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.41
SLC7A5 Q01650 1/20 0.40
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
KMT2A Q03164 1/20 0.37
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
CPB2 Q96IY4 3/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
CYP1A2 P05177 1/20 0.33
PTGS2 P35354 1/20 0.33
TPMT P51580 1/20 0.32
CTSB P07858 1/20 0.32

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
SCHEMBL4987047 0.85 TAAR1 (0.41) ANPEPERAP2ERAP1KMT2ARNPEP
SCHEMBL4985219 0.85 ANPEP (0.45) ANPEPSLC7A5ERAP2ERAP1CPB2
SCHEMBL4987946 0.84 CYP1A2 (0.41) ANPEPKMT2ARNPEPDNPEPSLC1A3
SCHEMBL4989063 0.84 ANPEP (0.35) ANPEPSLC7A5ERAP2ERAP1RNPEP
SCHEMBL4993018 0.83 LMNA (0.34) ANPEPERAP2ERAP1CPB2CYP1A2
SCHEMBL4989888 0.83 SLC1A1 (0.35) ANPEPRNPEPDNPEPCPB2SLC1A3
SCHEMBL4987663 0.83 GRN (0.38) ANPEPRNPEPDNPEPCPB2
SCHEMBL4997611 0.82 ANPEP (0.41) ANPEPSLC7A5ERAP2ERAP1CPB2
SCHEMBL4989643 0.82 ANPEP (0.40) ANPEPSLC7A5ERAP2ERAP1KMT2A
SCHEMBL4985963 0.81 PSMB8 (0.40) ANPEPRNPEPDNPEPCTSB

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 ANPEP 750/4885SLC7A5 883/4885ERAP2 802/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ANPEP 691/4885SLC7A5 886/4885ERAP2 655/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ANPEP 644/4885SLC7A5 750/4885ERAP2 731/4885

“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.