SCHEMBL4991192

SCHEMBL4991192

CC(CC(CN)C(=O)O)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ANPEP P15144 2/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
CYP1A2 P05177 1/20 0.40
CNR2 P34972 1/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
ERAP2 Q6P179 1/20 0.37
EEF2K O00418 1/20 0.36

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
SCHEMBL4983604 0.88 CES2 (0.40) GAAANPEPRNPEPDNPEPHIF1A
SCHEMBL4990822 0.85 GAA (0.38) GAAANPEPRNPEPDNPEPSLC1A3
SCHEMBL4990778 0.83 TSHR (0.51) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4985210 0.83 NR3C2 (0.40) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4987994 0.83 CES2 (0.37) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4992639 0.82 CES2 (0.40) CES2CES1
SCHEMBL4990814 0.82 CES2 (0.40) SLC1A1CYP3A4CES2CES1
SCHEMBL4983956 0.82 GAA (0.38) GAASLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4992396 0.82 NISCH (0.44) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4983189 0.81 CNR2 (0.43) CYP1A2CNR2CYP3A4

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
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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 GAA 2329/4885ANPEP 750/4885RNPEP 1730/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GAA 2133/4885ANPEP 691/4885RNPEP 1513/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GAA 2307/4885ANPEP 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.