SCHEMBL1759623

SCHEMBL1759623

O=Cc1ncoc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.50
FBP1 P09467 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
LIMK2 P53671 1/20 0.37
IP6K1 Q92551 1/20 0.36
NOTUM Q6P988 1/20 0.34
NTSR1 P30989 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
GSR P00390 1/20 0.34
CYP2A6 P11509 1/20 0.33
MAPK14 Q16539 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6315147 0.81 GAA (0.49) ADORA2AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6314835 0.81 CYP3A4 (0.46) KDM4EALDH1A1CYP2A6CYP1A2CYP3A4
SCHEMBL18003836 0.80 NOTUM (0.44) ALDH1A1NPC1POLBNOTUMMAPK14
SCHEMBL9956374 0.80 NOTUM (0.44) KDM4ENOTUMMAPK14CYP3A4NR4A2
SCHEMBL16094180 0.78 GSK3B (0.44) NOTUMGSK3B
SCHEMBL6320656 0.76 MAPT (0.41) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL6322041 0.76 PTGS2 (0.41) LIMK2
SCHEMBL23371375 0.73 PDE10A (0.39) ALDH1A1POLB
SCHEMBL11751610 0.72 MAPK14 (0.43) ADORA2AFBP1KDM4EALDH1A1MEN1
SCHEMBL926216 0.71 MAPK14 (0.55) ADORA2AFBP1KDM4EALDH1A1MEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1829697-A Aryl-heteroaromatic products, compositions containing same and use thereof AVENTIS PHARMA SA (FR) 2006-09-06 CN claimed
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
CN-108495857-A New phospha cyclohexane class compound and azepine phospha cyclohexane class compound, their preparation method and the Pharmaceutical composition comprising them 法国施维雅药厂 2018-09-04 CN disclosed
EP-3271368-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2018-01-24 EP disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US disclosed
WO-2011058193-A1 [1,5]-DIAZOCIN DERIVATIVES MELLITECH (FR) 2011-05-19 WO disclosed
WO-2010119992-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 WO disclosed
US-7799941-B2 Process for producing optically active β-hydroxy-α-aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-21 US disclosed
US-7781609-B2 Process for producing optically active β-hydroxy-α-aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
CN-100427472-C Aryl-heteroaromatic compounds, compositions containing them and their use AVENTIS PHARMA SA (FR) 2008-10-22 CN disclosed
US-20080139825-A1 Process For Producing Optically Active Beta-Hydroxy-Alpha-Aminocarboxylic Acid Derivative NISSAN CHEMICAL INDUSTRIAL, LTD. (JP) 2008-06-12 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US disclosed
CN-1829697-A Aryl-heteroaromatic products, compositions containing same and use thereof AVENTIS PHARMA SA (FR) 2006-09-06 CN 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 (6 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-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM GPR119, PNLIP, CYP46A1 ADORA2A 440/4885FBP1 2221/4885KDM4E 2338/4885
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 ADORA2A 330/4885FBP1 321/4885KDM4E 978/4885
US-20080139825-A1 Process For Producing Optically Active Beta-Hydroxy-Alpha-Aminocarboxylic Acid Derivative HCAR2, HCAR1, ALDH7A1 ADORA2A 748/4885FBP1 2541/4885KDM4E 1294/4885
US-20120225892-A1 [1,5]-Diazocin Derivatives IAPP, INSR, GLP1R ADORA2A 3615/4885FBP1 95/4885KDM4E 3585/4885
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TK1, AK1, PHKA1 ADORA2A 330/4885FBP1 321/4885KDM4E 978/4885
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AK1, TK1, PHKA1 ADORA2A 316/4885FBP1 297/4885KDM4E 1260/4885

“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.