Sugi Predict

Sugi Predict / Compounds / SCHEMBL1764115

SCHEMBL1764115

SCHEMBL1764115

O=C1COc2c(cc(OCc3ccccc3)cc2[C@@H]2CO2)N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.47
▸ MAOA P21397 8/20 0.47
▸ CREBBP Q92793 2/20 0.46
▸ ADRB2 P07550 3/20 0.40
▸ GYS1 P13807 1/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL561097 1.00 MAOB (0.47) MAOBMAOACREBBPADRB2GYS1
SCHEMBL31454793 1.00 MAOB (0.47) MAOBMAOACREBBPADRB2GYS1
SCHEMBL3236352 0.81 MAOB (0.57) MAOBMAOACREBBPNPC1ALDH1A1
SCHEMBL12648407 0.80 DRD2 (0.40) MAOBMAOAADRB2NPC1ADRB1
SCHEMBL12594396 0.78 PKM (0.39) MAOBMAOAADRB2ALDH1A1SMN1; SMN2
SCHEMBL20285605 0.78 NR3C2 (0.35) ADRB2PARP1ALDH1A1ADRB1
SCHEMBL560342 0.78 MAOB (0.48) MAOBMAOACREBBPADRB2GYS1
SCHEMBL29498303 0.78 MAOB (0.48) MAOBMAOACREBBPADRB2GYS1
SCHEMBL1764304 0.76 MAOA (0.46) MAOBMAOACREBBPADRB2GYS1
SCHEMBL561100 0.76 MAOA (0.46) MAOBMAOACREBBPADRB2GYS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115678936-A Method for selectively synthesizing chiral alcohol and epoxy compound 广东东阳光药业有限公司 2023-02-03 — — CN disclosed
EP-3558954-B1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE INKE SA (ES) 2021-11-03 — — EP disclosed
EP-3558954-B1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE INKE SA (ES) 2021-11-03 — — EP disclosed
CN-112592323-A Process for preparing odaterol and salts thereof 上海谷森医药有限公司 2021-04-02 — — CN disclosed
US-10800748-B2 Process for the manufacture of R-6-hydroxy-8-[1-hydroxy-2-[2-(4-methoxyphenyl)-1,1-dimethylethylaminoethyl]-2H-1,4-benzoxazin-3(4H)-one hydrochloride INKE, S.A. (ES) 2020-10-13 — — US disclosed
US-10800748-B2 Process for the manufacture of R-6-hydroxy-8-[1-hydroxy-2-[2-(4-methoxyphenyl)-1,1-dimethylethylaminoethyl]-2H-1,4-benzoxazin-3(4H)-one hydrochloride INKE, S.A. (ES) 2020-10-13 — — US disclosed
US-20200062723-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE LABORATORIOS LESVI, S.L. (ES) 2020-02-27 — — US disclosed
US-20200062723-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE LABORATORIOS LESVI, S.L. (ES) 2020-02-27 — — US disclosed
CN-106554350-B Benzo heterocyclic derivative with beta 2 agonist activity and its prepn and application 四川海思科制药有限公司 2019-12-20 — — CN disclosed
EP-3558954-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE INKE, S.A. (ES) 2019-10-30 — — EP disclosed
US-7939658-B2 Enantiomeric pure beta agonists, manufacturing and use as a medicaments thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 — — US disclosed
US-20100022770-A1 PROCESS FOR THE MANUFACTURING OF BETA MIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 — — US disclosed
US-20100022770-A1 PROCESS FOR THE MANUFACTURING OF BETA MIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 — — US disclosed
US-20090306068-A1 NOVEL ENANTIOMERIC PURE BETA AGONISTS, MANUFACTURING AND USE AS A MEDICAMENTS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 — — US disclosed
EP-2125759-A2 METHOD FOR PRODUCING BETAMIMETICS Boehringer Ingelheim International GmbH (DE) 2009-12-02 — — EP disclosed
US-7534789-B2 Enantiomeric pure β agonists, manufacturing and use as a medicament thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-19 — — US disclosed
WO-2008090193-A2 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 — — WO disclosed
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 — — US disclosed
US-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 — — US disclosed
US-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 — — US 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-20090306068-A1 NOVEL ENANTIOMERIC PURE BETA AGONISTS, MANUFACTURING AND USE AS A MEDICAMENTS THEREOF ADRB1, ADRB2, ADRA1B MAOB 206/4885MAOA 376/4885CREBBP 1368/4885
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof ADRB1, ADRA1B, ADRA2B MAOB 182/4885MAOA 313/4885CREBBP 1418/4885
US-20200062723-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE HTR6, HTR4, HAAO MAOB 1090/4885MAOA 816/4885CREBBP 1049/4885
US-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS ADRA1D, ADRB1, ADRA1A MAOB 200/4885MAOA 175/4885CREBBP 1818/4885
US-10800748-B2 Process for the manufacture of R-6-hydroxy-8-[1-hydroxy-2-[2-(4-methoxyphenyl)-1,1-dimethylethylaminoethyl]-2H-1,4-benzoxazin-3(4H)-one hydrochloride HTR6, HTR4, SLC6A6 MAOB 1118/4885MAOA 796/4885CREBBP 1018/4885
US-20100022770-A1 PROCESS FOR THE MANUFACTURING OF BETA MIMETICS ADRB1, ADRA1D, ADRB3 MAOB 240/4885MAOA 314/4885CREBBP 2918/4885

“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.