SCHEMBL5696983

SCHEMBL5696983

COC(=O)c1ccc(C(C)N2CNc3ccc(C(=O)NCc4ccc(OC)cc4)cc3C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.46
DRD2 P14416 7/20 0.45
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
DRD3 P35462 2/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.41
EPHX2 P34913 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 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
SCHEMBL6391368 0.97 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5696883 0.93 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5696948 0.77 MMP13 (0.53) ALDH1A1NPC1RAB9AMAPK1DRD2
SCHEMBL6706802 0.75 NPC1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL6218995 0.73 MEN1 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL6296184 0.70 MAPT (0.51) ALDH1A1SMN1; SMN2MAPK1DRD2POLB
SCHEMBL6518749 0.69 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL23903366 0.69 RAB9A (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL16431115 0.69 NPC1 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL6234877 0.68 MAPT (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492775-A2 OXO-AZABICYCLIC COMPOUNDS Warner-Lambert Company LLC (US) 2005-01-05 EP claimed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US claimed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 US claimed
WO-2003076416-A1 OXO AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO claimed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO claimed
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
US-6894057-B2 Oxo-azabicyclic compounds WARNER-LAMBERT COMPANY (US) 2005-05-17 US disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1492775-A2 OXO-AZABICYCLIC COMPOUNDS Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US disclosed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US disclosed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 US disclosed
WO-2003076416-A1 OXO AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO disclosed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 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 (3 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-20030216402-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, XDH ALDH1A1 1015/4885NPC1 760/4885RAB9A 3590/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 ALDH1A1 3321/4885NPC1 3853/4885RAB9A 3127/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 ALDH1A1 1159/4885NPC1 990/4885RAB9A 3650/4885

“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.