Sugi Predict

Sugi Predict / Compounds / SCHEMBL561089

SCHEMBL561089

SCHEMBL561089

COc1ccc(CC(C)(C)NC[C@H](O)c2cc(OCc3ccccc3)cc3c2OCC(=O)N3)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 19/20 0.78
▸ ADRB2 P07550 19/20 0.78
▸ CHRM2 P08172 1/20 0.78
▸ HTR1A P08908 1/20 0.78
▸ ADRA2A P08913 1/20 0.78
▸ HTR2A P28223 1/20 0.78
▸ SLC6A4 P31645 1/20 0.78
▸ ADRA1A P35348 1/20 0.78
▸ PTGS2 P35354 1/20 0.78
▸ HTR2B P41595 1/20 0.78
▸ SLC6A3 Q01959 1/20 0.78
▸ PDE4D Q08499 1/20 0.78
▸ KCNH2 Q12809 1/20 0.78

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
SCHEMBL183264 1.00 ADRB1 (0.78) ADRB1ADRB2CHRM2HTR1AADRA2A
SCHEMBL20322178 1.00 ADRB1 (0.78) ADRB1ADRB2CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL1764532 0.99 ADRB1 (0.78) ADRB1ADRB2CHRM2HTR1AADRA2A
SCHEMBL564397 0.94 ADRB1 (0.79) ADRB1ADRB2CHRM2HTR1AADRA2A
SCHEMBL20322228 0.94 ADRB1 (0.77) ADRB1ADRB2CHRM2HTR1AADRA2A
SCHEMBL2975362 0.94 ADRB1 (0.77) ADRB1ADRB2CHRM2HTR1AADRA2A
SCHEMBL563685 0.93 ADRB1 (0.74) ADRB1ADRB2CHRM2HTR1AADRA2A
SCHEMBL564854 0.91 ADRB1 (0.75) ADRB1ADRB2CHRM2HTR1AADRA2A
SCHEMBL19341729 0.91 ADRB2 (0.86) ADRB1ADRB2CHRM2HTR1AADRA2A
SCHEMBL564365 0.90 ADRB1 (0.71) ADRB1ADRB2CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997248-B Crystal form B of ondarot hydrochloride and preparation method thereof 上海方予健康医药科技有限公司 2023-08-01 — — 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
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
WO-2018114887-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) 2018-06-28 — — WO disclosed
US-20120034275-A1 POWDER FORMULATIONS FOR INHALATION, COMPRISING ENANTIOMERICALLY PURE BETA AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — US disclosed
US-8034809-B2 Enantiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 — — US disclosed
US-20090137578-A1 ENANTIOMERICALLY PURE BETA AGONISTS, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 — — US disclosed
US-20050255050-A1 Powder formulations for inhalation, comprising enantiomerically pure beta agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 — — 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 (5 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-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 ADRB1 158/4885ADRB2 326/4885CHRM2 342/4885
US-20090137578-A1 ENANTIOMERICALLY PURE BETA AGONISTS, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF AS MEDICAMENTS ADRB1, ADRB2, ADRA1D ADRB1 1/4885ADRB2 2/4885CHRM2 13/4885
US-20120034275-A1 POWDER FORMULATIONS FOR INHALATION, COMPRISING ENANTIOMERICALLY PURE BETA AGONISTS ADRB1, ADRB2, ADRB3 ADRB1 1/4885ADRB2 2/4885CHRM2 11/4885
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 ADRB1 146/4885ADRB2 322/4885CHRM2 262/4885
US-20050255050-A1 Powder formulations for inhalation, comprising enantiomerically pure beta agonists ADRB1, ADRB2, ADRB3 ADRB1 1/4885ADRB2 2/4885CHRM2 11/4885

“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.