SCHEMBL4686919

SCHEMBL4686919

COc1ccc(CNC(C)CNc2nc3ccccc3o2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SSTR5 P35346 7/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
APP P05067 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4686918 0.78 L3MBTL1 (0.51) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL3463008 0.77 MRGPRX1 (0.52) MEN1KMT2ASSTR5NPC1RAB9A
SCHEMBL3463524 0.73 MAPT (0.55) MEN1KMT2ASSTR5NPC1RAB9A
SCHEMBL3948639 0.72 PCSK9 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12749660 0.70 MEN1 (0.62) MEN1KMT2ASSTR5NPC1RAB9A
SCHEMBL6095764 0.70 KMT2A (0.63) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL6095767 0.70 KMT2A (0.63) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL9781400 0.69 MEN1 (0.70) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL9119369 0.69 KMT2A (0.70) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL9119354 0.69 KMT2A (0.70) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1

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-7468367-B2 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-12-23 US claimed
EP-1456203-B1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2008-08-20 EP claimed
US-20050159421-A1 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2005-07-21 US claimed
US-7468367-B2 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-12-23 US disclosed
EP-1456203-B1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2008-08-20 EP disclosed
US-20050159421-A1 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2005-07-21 US disclosed
EP-1456203-A1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
WO-2003051872-A1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-26 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-20050159421-A1 Ethylene diamine derivatives and their use as orexin-receptor antagonists HCRTR2, HCRTR1, GRPR MEN1 593/4885KMT2A 834/4885SSTR5 13/4885

“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.