SCHEMBL4990822

SCHEMBL4990822

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CNR2 P34972 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ANPEP P15144 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
PTGS1 P23219 3/20 0.35
MEN1 O00255 2/20 0.35
PTGS2 P35354 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL4983749 0.89 CES2 (0.38) GAAHIF1ACES2CES1ANPEP
SCHEMBL4991192 0.85 GAA (0.40) GAACNR2HIF1ACYP3A4CES2
SCHEMBL4986423 0.84 TSHR (0.41) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4989209 0.84 MME (0.38) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4989737 0.84 CES2 (0.35) DPP7HIF1ACES2CES1ANPEP
SCHEMBL4985988 0.83 CES2 (0.38) HIF1ACYP3A4CES2CES1PTGS1
SCHEMBL4989729 0.83 PSEN1 (0.39) CES2CES1PTGS2PSEN1PSEN2
SCHEMBL4990074 0.83 NISCH (0.42) DPP4ANPEPRNPEPDNPEPSLC1A3
SCHEMBL27644082 0.82 GRM2 (0.43) GAACNR2DPP4DPP7HIF1A
SCHEMBL4988063 0.82 CNR2 (0.41) CNR2AKR1C3AKR1C2HPGDSMN1; SMN2

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 GAA 2329/4885CNR2 394/4885DPP4 2680/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GAA 2133/4885CNR2 318/4885DPP4 3263/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GAA 2307/4885CNR2 368/4885DPP4 2672/4885

“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.