SCHEMBL4984035

SCHEMBL4984035

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
ATM Q13315 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4987887 0.93 TSHR (0.31) KDM4EGRIK1GRIK2ATM
SCHEMBL4989944 0.88 SLC1A3 (0.33) SLC1A3SLC1A2
SCHEMBL4984592 0.87 KDM4E (0.33) KDM4EGRIK1GRIK2GRNSORT1
SCHEMBL4990124 0.87 GRN (0.35) KDM4EGRIK1GRIK2SLC1A3SLC1A2
SCHEMBL4991521 0.85 ATM (0.35) HIF1AKDM4EGRIK1GRIK2ATM
SCHEMBL4994948 0.83 KDM4E (0.30) KDM4E
SCHEMBL4981549 0.82 GRIK1 (0.40) GRIK1GRIK2SLC1A3SLC1A2
SCHEMBL27665700 0.82 SLC7A5 (0.43) GRIK1GRIK2SLC1A3SLC1A2
SCHEMBL4984373 0.82 GRN (0.33) GRIK1GRIK2GRNSORT1
SCHEMBL4990075 0.81 ATM (0.34) HIF1AKDM4EGRIK1GRIK2ATM

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 HIF1A 622/4885KDM4E 3870/4885GRIK1 413/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A HIF1A 702/4885KDM4E 3684/4885GRIK1 304/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A HIF1A 714/4885KDM4E 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.