SCHEMBL4990075

SCHEMBL4990075

CC(CC(CN)C(=O)O)c1c(Cl)cc(Cl)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
KDM4E B2RXH2 2/20 0.32
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
GRN P28799 2/20 0.31
SORT1 Q99523 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CPB2 Q96IY4 1/20 0.30
HIF1A Q16665 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4991521 0.92 ATM (0.35) ATMKDM4EGRIK1GRIK2SLC1A3
SCHEMBL4987867 0.85 SLC1A3 (0.35) GRIK1GRIK2SLC1A3SLC1A2HIF1A
SCHEMBL4987887 0.85 TSHR (0.31) ATMKDM4EGRIK1GRIK2TSHR
SCHEMBL4981520 0.85 KDM4E (0.35) KDM4EGRIK1GRIK2GRNSORT1
SCHEMBL4990037 0.84 GRN (0.37) ATMKDM4EGRIK1GRIK2SLC1A3
SCHEMBL4987733 0.84 KDM4E (0.31) KDM4EGRIK1GRIK2SLC1A3SLC1A2
SCHEMBL4981583 0.82 SLC1A3 (0.33) GRIK1GRIK2SLC1A3SLC1A2LMNA
SCHEMBL4984035 0.81 HIF1A (0.32) ATMKDM4EGRIK1GRIK2SLC1A3
SCHEMBL4983560 0.80 GRIK1 (0.42) GRIK1GRIK2SLC1A3SLC1A2LMNA
SCHEMBL4993918 0.79 GRN (0.34) KDM4EGRIK1GRIK2GRNSORT1

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 ATM 4529/4885KDM4E 3870/4885GRIK1 413/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ATM 4492/4885KDM4E 3684/4885GRIK1 304/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ATM 4560/4885KDM4E 3950/4885GRIK1 415/4885

“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.