SCHEMBL4986648

SCHEMBL4986648

CC(CCCc1cc(Cl)ccc1Cl)CC(CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 7/20 0.38
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 1/20 0.34
MAOB P27338 1/20 0.34
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
EPHX1 P07099 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MME P08473 1/20 0.33

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
SCHEMBL4989789 0.90 ACLY (0.48) ACLYATML3MBTL1EPHX1
SCHEMBL4986391 0.86 ACLY (0.37) ACLYGRIK1GRIK2MME
SCHEMBL4986509 0.85 ACLY (0.34) ACLYATML3MBTL1GRIK1SLC6A2
SCHEMBL4991447 0.85 SLC6A2 (0.46) GRIK1GRIK2SLC6A2SLC6A4SMN1; SMN2
SCHEMBL4987951 0.85 POLB (0.39) GRIK1GRIK2MAOBEPHX1SLC6A2
SCHEMBL4994051 0.84 GRIK1 (0.34) ACLYGRIK1GRIK2SLC6A2SLC6A4
SCHEMBL4986640 0.82 PPARA (0.49) GRIK1LMNAMME
SCHEMBL4989381 0.81 GRIK1 (0.32) ACLYGRIK1
SCHEMBL4985974 0.81 IGF1R (0.43) GRIK1PYGL
SCHEMBL4992149 0.81 GRIK1 (0.33) ACLYGRIK1GRIK2LMNASMN1; 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 ACLY 3822/4885ATM 4529/4885L3MBTL1 2862/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ACLY 3254/4885ATM 4492/4885L3MBTL1 2556/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ACLY 3560/4885ATM 4560/4885L3MBTL1 2799/4885

“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.