SCHEMBL4989314

SCHEMBL4989314

CC(Cc1c(F)c(F)c(F)c(F)c1F)CC(CN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.35
SLC1A3 P43003 3/20 0.34
SLC1A2 P43004 3/20 0.34
CPB2 Q96IY4 3/20 0.34
SLC1A1 P43005 2/20 0.33
ANPEP P15144 1/20 0.31
RNPEP Q9H4A4 1/20 0.31
DNPEP Q9ULA0 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
GABRR1 P24046 2/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL4988225 0.87 CPB2 (0.34) SLC1A3SLC1A2CPB2ANPEPRNPEP
SCHEMBL4986214 0.85 FOLH1 (0.35) FOLH1SLC1A3SLC1A2CPB2SLC1A1
SCHEMBL4995153 0.85 CPB2 (0.33) FOLH1CPB2ANPEPRNPEPDNPEP
SCHEMBL4989769 0.83 FOLH1 (0.34) FOLH1SLC1A3SLC1A2CPB2SLC1A1
SCHEMBL4983801 0.83 MME (0.35) SLC1A3SLC1A2CPB2SLC1A1ANPEP
SCHEMBL4988298 0.82 SLC1A3 (0.36) FOLH1SLC1A3SLC1A2CPB2SLC1A1
SCHEMBL4986542 0.82 SLC1A3 (0.36) FOLH1SLC1A3SLC1A2CPB2SLC1A1
SCHEMBL4991473 0.81 CPB2 (0.33) SLC1A3SLC1A2CPB2SLC1A1ANPEP
SCHEMBL4989978 0.81 CPB2 (0.34) CPB2ANPEPRNPEPDNPEPADRA1A
SCHEMBL4989690 0.81 ANPEP (0.37) SLC1A3SLC1A2CPB2SLC1A1ANPEP

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 FOLH1 2162/4885SLC1A3 118/4885SLC1A2 57/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A FOLH1 1909/4885SLC1A3 128/4885SLC1A2 42/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A FOLH1 1905/4885SLC1A3 104/4885SLC1A2 29/4885

“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.