SCHEMBL4209776

SCHEMBL4209776

O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
CASR P41180 1/20 0.52
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50

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
SCHEMBL13948488 1.00 MEN1 (0.54) MEN1KMT2ASLC6A2SLC6A3KCNH2
SCHEMBL4204100 0.81 KCNH2 (0.66) SLC6A2SLC6A3KCNH2ADRB2ADRB1
SCHEMBL4202125 0.81 KCNH2 (0.66) SLC6A2SLC6A3KCNH2ADRB2ADRB1
SCHEMBL4196756 0.81 KCNH2 (0.66) SLC6A2SLC6A3KCNH2ADRB2ADRB1
SCHEMBL4206093 0.79 KCNH2 (0.71) MEN1KMT2ASLC6A2SLC6A3KCNH2
SCHEMBL4216135 0.79 KCNH2 (0.71) MEN1KMT2ASLC6A2SLC6A3KCNH2
SCHEMBL4209781 0.78 L3MBTL1 (0.51) MEN1KMT2ASLC6A2SLC6A3KCNH2
SCHEMBL7114181 0.76 ADRB3 (0.54) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL6378942 0.76 MAPT (0.43) MEN1KMT2ASLC6A2SLC6A3KCNH2
SCHEMBL7368728 0.75 L3MBTL1 (0.53) KMT2AKCNH2ADRB2ADRB1ADRB3

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-20090023791-A1 PH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2009-01-22 US disclosed
US-7375136-B2 pH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2008-05-20 US disclosed
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 EP disclosed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 US disclosed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 EP disclosed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 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 (2 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-20090023791-A1 PH-dependent NMDA receptor antagonists GRIN1, GRIA4, GRIA1 MEN1 1097/4885KMT2A 259/4885SLC6A2 2149/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A MEN1 2158/4885KMT2A 338/4885SLC6A2 2030/4885

“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.