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SCHEMBL4987451

SCHEMBL4987451

CC(CC(CN)C(=O)O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 4/20 0.35
▸ SLC1A2 P43004 4/20 0.35
▸ SLC1A1 P43005 4/20 0.33
▸ GRM8 O00222 1/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ CACNA2D1 P54289 2/20 0.32
▸ CACNB3 P54284 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CACNA2D2 Q9NY47 1/20 0.32
▸ GABRR1 P24046 2/20 0.31
▸ SLC7A5 Q01650 1/20 0.31
▸ LAP3 P28838 2/20 0.31
▸ GRIK1 P39086 1/20 0.31
▸ GRIK2 Q13002 1/20 0.31
▸ ANPEP P15144 1/20 0.30
▸ CPA1 P15085 1/20 0.30

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
SCHEMBL4986059 0.87 MME (0.33) SLC1A3SLC1A2GABRR1
SCHEMBL4990679 0.84 MME (0.31) SLC1A3SLC1A2GABRR1
SCHEMBL26239380 0.84 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL4990913 0.83 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL4983231 0.82 MME (0.34) SLC1A3SLC1A2CACNA2D1CACNB3CACNA1C
SCHEMBL4990789 0.80 PTGES (0.33) SLC1A3SLC1A2GABRR1GRIK1GRIK2
SCHEMBL4987994 0.80 CES2 (0.37) SLC1A3SLC1A2SLC1A1ANPEP
SCHEMBL4993744 0.79 SLC1A2 (0.38) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL4987867 0.79 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1CACNA2D1CACNB3
SCHEMBL4989925 0.78 MME (0.31) SLC1A3SLC1A2GABRR1

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 SLC1A3 118/4885SLC1A2 57/4885SLC1A1 106/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A SLC1A3 128/4885SLC1A2 42/4885SLC1A1 111/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC1A3 104/4885SLC1A2 29/4885SLC1A1 91/4885

“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.