SCHEMBL1246159

SCHEMBL1246159

C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc(C=Cc2cc[n+](C)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 2/20 0.51
RAD52 P43351 3/20 0.47
APP P05067 5/20 0.47
PKM P14618 3/20 0.45
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
NSD2 O96028 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
TAAR1 Q96RJ0 1/20 0.39
XIAP P98170 1/20 0.35
IDO1 P14902 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1246509 0.99 CHAT (0.52) CHATRAD52APPPKMHTT
SCHEMBL1245863 0.92 CHAT (0.57) CHATRAD52APPPKMHTT
Hydrochloric Acid SCHEMBL1244769 0.82 CHAT (0.51) CHATRAD52APPPKMHTT
SCHEMBL1245684 0.80 CHAT (0.53) CHATRAD52APPPKMHTT
Hydrochloric Acid SCHEMBL1246932 0.80 CHAT (0.53) CHATRAD52APPPKMHTT
SCHEMBL1245825 0.79 CHAT (0.49) CHATRAD52APPPKMHTT
SCHEMBL1245835 0.78 CHAT (0.59) CHATRAD52APPPKMHTT
Hydrochloric Acid SCHEMBL1246494 0.77 BACE1 (0.56) CHATRAD52APPPKMHTT
Hydrochloric Acid SCHEMBL1246670 0.77 CHAT (0.57) CHATRAD52APPPKMHTT
Alanine SCHEMBL27855847 0.77 CHAT (0.64) CHATRAD52APPPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459734-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 EP claimed
US-8592174-B2 Peptidase substrates bioMérieux, S.A. (FR) 2013-11-26 US claimed
EP-2459734-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP claimed
US-20120122135-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-17 US claimed
WO-2011012809-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 WO claimed
EP-2459734-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 EP disclosed
US-8592174-B2 Peptidase substrates bioMérieux, S.A. (FR) 2013-11-26 US disclosed
EP-2459734-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP disclosed
US-20120122135-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-17 US disclosed
WO-2011012809-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 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-20120122135-A1 Novel Peptidase Substrates CPN1, CTRL, ANPEP CHAT 1696/4885RAD52 4505/4885APP 586/4885

“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.