SCHEMBL3042848

SCHEMBL3042848

N[C@@H](CCC(=O)CBr)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.60
GRM8 O00222 2/20 0.60
GRM6 O15303 2/20 0.60
GRM7 Q14831 2/20 0.60
GRM4 Q14833 2/20 0.60
GRIN2D O15399 1/20 0.60
GRIN3B O60391 1/20 0.60
CYP1A2 P05177 1/20 0.60
GRIK1 P39086 1/20 0.60
GRM5 P41594 1/20 0.60
GRIA1 P42261 1/20 0.60
GRIA2 P42262 1/20 0.60
GRIA3 P42263 1/20 0.60
SLC1A3 P43003 1/20 0.60
SLC1A2 P43004 1/20 0.60
SLC1A1 P43005 1/20 0.60
GRIA4 P48058 1/20 0.60
GRIN1 Q05586 1/20 0.60
GRIN2A Q12879 1/20 0.60
GRIK2 Q13002 1/20 0.60

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
SCHEMBL22164119 0.85 ALOX15 (0.76) GSRGRM8GRM6GRM7GRM4
SCHEMBL27872833 0.85 ALOX15 (0.76) GSRGRM8GRM6GRM7GRM4
SCHEMBL4361742 0.79 GSR (0.62) GSRGRM8GRM6GRM7GRM4
SCHEMBL3323804 0.79 GSR (0.62) GSRGRM8GRM6GRM7GRM4
SCHEMBL16994472 0.79 GSR (0.62) GSRGRM8GRM6GRM7GRM4
SCHEMBL14617601 0.79 GSR (0.62) GSRGRM8GRM6GRM7GRM4
SCHEMBL17602386 0.77 GSR (0.60) GSRGRM8GRM6GRM7GRM4
SCHEMBL22734891 0.77 ALOX15 (0.64) GSRGRM8GRM6GRM7GRM4
SCHEMBL15342759 0.77 GRIK1 (0.60) GSRGRM8GRM6GRM7GRM4
SCHEMBL10076866 0.77 GRIK1 (0.60) GSRGRM8GRM6GRM7GRM4

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
WO-2012153125-A1 NOVEL COMPOUNDS AND METHODS FOR USE IN MEDICINE ASTON UNIVERSITY (GB) 2012-11-15 WO disclosed
US-7723307-B2 Amino acid derivatives and pharmaceutical uses thereof ASTON UNIVERSITY (GB) 2010-05-25 US disclosed
US-20080200511-A1 Novel Compounds and Methods of Using the Same ASTON UNIVERSITY (GB) 2008-08-21 US disclosed
EP-1648924-B1 DIPEPTIDE TRANSGLUTAMINASE INHIBITORS AND METHODS OF USING THE SAME UNIV ASTON (GB) 2008-07-30 EP disclosed
EP-1648924-A2 DIPEPTIDE TRANSGLUTAMINASE INHIBITORS AND METHODS OF USING THE SAME The Nottingham Trent University (GB) 2006-04-26 EP disclosed
WO-2004113363-A2 DIPEPTIDE TRANSGLUTAMINASE INHIBITORS AND METHODS OF USING THE SAME THE NOTTINGHAM TRENT UNIVERSITY (GB) 2004-12-29 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 (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-20080200511-A1 Novel Compounds and Methods of Using the Same F3, IL4I1, TPMT GSR 216/4885GRM8 2640/4885GRM6 2319/4885

“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.