SCHEMBL4990037

SCHEMBL4990037

CC(CC(CN)C(=O)O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.37
SORT1 Q99523 2/20 0.37
GRIK1 P39086 6/20 0.35
GRIK2 Q13002 6/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ITGAV P06756 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
FFAR1 O14842 1/20 0.33
GRIK3 Q13003 1/20 0.33
ATM Q13315 1/20 0.33
APP P05067 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 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
SCHEMBL4991521 0.86 ATM (0.35) GRNSORT1GRIK1GRIK2KDM4E
SCHEMBL4983560 0.86 GRIK1 (0.42) GRIK1GRIK2ITGAVSLC1A3SLC1A2
SCHEMBL4993918 0.85 GRN (0.34) GRNSORT1GRIK1GRIK2KDM4E
SCHEMBL4990124 0.84 GRN (0.35) GRNSORT1GRIK1GRIK2KDM4E
SCHEMBL4990075 0.84 ATM (0.34) GRNSORT1GRIK1GRIK2KDM4E
SCHEMBL4984318 0.84 GRN (0.43) GRNSORT1GRIK1GRIK2EPHX2
SCHEMBL4990499 0.82 LMNA (0.46) ALDH1A1FFAR1TSHR
SCHEMBL4987867 0.81 SLC1A3 (0.35) GRIK1GRIK2SLC1A3SLC1A2TSHR
SCHEMBL4981520 0.81 KDM4E (0.35) GRNSORT1GRIK1GRIK2KDM4E
SCHEMBL4986118 0.81 GRIK1 (0.35) GRNSORT1GRIK1GRIK2EPHX2

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 8 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 GRN 4132/4885SORT1 3772/4885GRIK1 413/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRN 4117/4885SORT1 4003/4885GRIK1 304/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRN 4189/4885SORT1 3858/4885GRIK1 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.