SCHEMBL4989690

SCHEMBL4989690

CC(Cc1c(F)cccc1F)CC(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
CYP1A2 P05177 2/20 0.36
DPP4 P27487 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
ERAP2 Q6P179 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CPB2 Q96IY4 3/20 0.34
MEN1 O00255 1/20 0.33
FABP2 P12104 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C4 P17516 1/20 0.33

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
SCHEMBL4988072 0.87 TAAR1 (0.34) ANPEPRNPEPDNPEPCYP1A2ITGB2
SCHEMBL4983801 0.87 MME (0.35) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4986465 0.86 DPP4 (0.38) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4994718 0.85 PPARG (0.42) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4986895 0.85 SCN4A (0.37) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4993939 0.85 ANPEP (0.37) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4989978 0.85 CPB2 (0.34) ANPEPRNPEPDNPEPCYP1A2DPP4
SCHEMBL4993615 0.85 GRIK1 (0.38) ITGB2ICAM1ITGALCPB2AKR1C3
SCHEMBL4989384 0.84 CPB2 (0.35) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4986351 0.84 CPB2 (0.35) ANPEPRNPEPDNPEPSLC1A3SLC1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 750/4885RNPEP 1730/4885DNPEP 332/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ANPEP 691/4885RNPEP 1513/4885DNPEP 355/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ANPEP 644/4885RNPEP 1486/4885DNPEP 251/4885

“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.