SCHEMBL4524329

SCHEMBL4524329

NC(CC(=O)CBr)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.48
GRIK2 Q13002 5/20 0.48
GRM1 Q13255 2/20 0.48
GRM2 Q14416 2/20 0.48
SLC7A5 Q01650 1/20 0.46
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
GGT1 P19440 4/20 0.43
SLC1A1 P43005 4/20 0.43
GRIA4 P48058 4/20 0.42
GRIK3 Q13003 4/20 0.42
GRIK5 Q16478 4/20 0.42
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
CPA1 P15085 1/20 0.41
GRIA2 P42262 3/20 0.41
GRIA1 P42261 2/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41

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
SCHEMBL8133990 1.00 GRIK1 (0.48) GRIK1GRIK2GRM1GRM2SLC7A5
Aspartic Acid SCHEMBL8529639 0.86 TSHR (0.46) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL6832737 0.79 PTGS1 (0.55) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL10618897 0.79 PTGS1 (0.55) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL3044802 0.77 GRIK1 (0.50) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL7366965 0.77 GRIK1 (0.50) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL3145928 0.77 GRIK1 (0.50) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL564563 0.77 GRIK1 (0.50) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL3042848 0.76 GSR (0.60) GRIK1GRIK2GRM1GRM2PTGS1
SCHEMBL23829840 0.75 GRIK1 (0.48) GRIK1GRIK2GRM1GRM2SLC7A5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626022-B2 Racemic mixtures; oxidation; cyclization; crystallization CHIRACON GMBH (DE) 2009-12-01 US disclosed
US-20050080263-A1 Method for producing ss-heteroaryl-alpha-alanine compounds using 2-amino-2-(heteroarylmethyl) carboxylic acid compounds CHIRACON GMBH (DE) 2005-04-14 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 (1 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-20050080263-A1 Method for producing ss-heteroaryl-alpha-alanine compounds using 2-amino-2-(heteroarylmethyl) carboxylic acid compounds AAAS, ASNS, AADAT GRIK1 3027/4885GRIK2 1869/4885GRM1 3272/4885

“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.