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SCHEMBL4986499

SCHEMBL4986499

CCC(CCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)CC(CN)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A2 P43004 4/20 0.34
▸ SLC1A1 P43005 4/20 0.34
▸ SLC1A3 P43003 3/20 0.34
▸ GRIK1 P39086 2/20 0.33
▸ GRIK2 Q13002 2/20 0.33
▸ CPB2 Q96IY4 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ AKR1A1 P14550 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4988223 0.92 CA2 (0.33) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL4992881 0.89 CPB2 (0.32) SLC1A2SLC1A1SLC1A3CPB2CHRM1
SCHEMBL4986228 0.87 CPB2 (0.31) CPB2CHRM1ADRA1A
SCHEMBL4993917 0.85 CPB2 (0.32) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL4986482 0.85 SLC1A3 (0.36) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL4990014 0.83 TAAR1 (0.39) GRIK1GRIK2CPB2MAPK1HTR2A
SCHEMBL4991067 0.83 HMGCR (0.33) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL4988099 0.82 SLC1A2 (0.34) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL4990076 0.81 GRIK1 (0.32) SLC1A2SLC1A1SLC1A3GRIK1CPB2
SCHEMBL4990845 0.81 CPB2 (0.31) CPB2

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

“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.