SCHEMBL4984592

SCHEMBL4984592

CC(CC(CN)C(=O)O)C(C)c1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GRIK1 P39086 5/20 0.33
GRIK2 Q13002 5/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APP P05067 1/20 0.32
MME P08473 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
AKR1C3 P42330 2/20 0.30
AKR1C2 P52895 2/20 0.30
GRIK3 Q13003 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
SCHEMBL4984035 0.87 HIF1A (0.32) KDM4EGRIK1GRIK2GRNSORT1
SCHEMBL4981549 0.87 GRIK1 (0.40) GRIK1GRIK2AKR1C3AKR1C2ANPEP
SCHEMBL4987887 0.86 TSHR (0.31) KDM4EGRIK1GRIK2MME
SCHEMBL4981520 0.85 KDM4E (0.35) KDM4EGRIK1GRIK2GRNSORT1
SCHEMBL4990476 0.84 KDM4E (0.33) KDM4EGRIK1GRIK2GRNSORT1
SCHEMBL4989944 0.83 SLC1A3 (0.33)
SCHEMBL4990124 0.82 GRN (0.35) KDM4EGRIK1GRIK2GRNSORT1
SCHEMBL4989962 0.81 PNMT (0.44) GRIK1GRIK2LMNA
SCHEMBL4987349 0.80 GRIK1 (0.34) KDM4EGRIK1GRIK2LMNAMME
SCHEMBL4983818 0.79 AKR1C3 (0.43) GRIK1GRIK2GRNSORT1PSEN1

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 KDM4E 3870/4885GRIK1 413/4885GRIK2 201/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A KDM4E 3684/4885GRIK1 304/4885GRIK2 177/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A KDM4E 3950/4885GRIK1 415/4885GRIK2 196/4885

“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.