SCHEMBL6044557

SCHEMBL6044557

COCCCOc1cc(CO)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
APP P05067 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
SLC2A1 P11166 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
C5AR1 P21730 3/20 0.46
BCHE P06276 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL13131318 0.87 APP (0.48) MTNR1AMTNR1BAPPNPC1RAB9A
SCHEMBL30280404 0.87 SLC2A1 (0.56) NPC1RAB9APOLBSLC2A1C5AR1
SCHEMBL584781 0.87 SLC2A1 (0.56) NPC1RAB9APOLBSLC2A1C5AR1
SCHEMBL20482623 0.86 MEN1 (0.48) MTNR1AMTNR1BAPPNPC1RAB9A
SCHEMBL698056 0.84 NPC1 (0.63) MTNR1AMTNR1BAPPNPC1RAB9A
SCHEMBL3239903 0.84 BCHE (0.60) NPC1RAB9APOLBSMPD1HDAC1
SCHEMBL31361425 0.84 BCHE (0.60) NPC1RAB9APOLBSMPD1HDAC1
SCHEMBL31725848 0.84 NPC1 (0.63) MTNR1AMTNR1BAPPNPC1RAB9A
SCHEMBL27795807 0.83 HTR1A (0.61) APPHTR1AADRA1DADRA1AADRA1B
SCHEMBL6045096 0.83 REN (0.48) SLC2A1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018154466-A1 DIHYDROQUINOLIZINONES AS ANTIVIRALS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-30 WO disclosed
CN-1266118-C Novel delta-amino-gamma-hydroxy-omega-aryl-alkanoic acid amides NOVARTIS AG (CH) 2006-07-26 CN disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
CN-1550491-A Novel delta-amino-gamma-hydroxy-omega-aryl-alkanoic acid amides ��˹��ŵ�� 2004-12-01 CN disclosed
CN-1153759-C Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides ��˹��ŵ�� 2004-06-16 CN disclosed
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
CN-1117960-A Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides CIBA GEIGY AG (CH) 1996-03-06 CN disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP 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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 MTNR1A 207/4885MTNR1B 236/4885APP 2/4885

“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.