SCHEMBL1764304

SCHEMBL1764304

O=C1COc2c(cc(OCc3ccccc3)cc2C(=O)CBr)N1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
CREBBP Q92793 1/20 0.42
ADRB2 P07550 5/20 0.41
GYS1 P13807 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB1 P08588 2/20 0.39
NAAA Q02083 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL561100 0.89 MAOA (0.46) MAOAMAOBCREBBPADRB2GYS1
SCHEMBL30223645 0.89 MAOA (0.46) MAOAMAOBCREBBPADRB2GYS1
SCHEMBL29498303 0.87 MAOB (0.48) MAOAMAOBCREBBPADRB2GYS1
SCHEMBL560342 0.87 MAOB (0.48) MAOAMAOBCREBBPADRB2GYS1
SCHEMBL564845 0.85 MAOA (0.46) MAOAMAOBCREBBPADRB2GYS1
SCHEMBL18227270 0.84 MAOA (0.41) MAOAMAOBCREBBPADRB2GYS1
SCHEMBL19327165 0.84 GYS1 (0.42) MAOAMAOBCREBBPADRB2GYS1
SCHEMBL20285626 0.82 NR3C2 (0.38) ADRB2ADRB1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28944096 0.82 ADRB2 (0.43) MAOAMAOBCREBBPADRB2ADRB1
SCHEMBL12594506 0.81 ADRB2 (0.54) MAOAMAOBADRB2ADRB1

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-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
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2022-09-20 US disclosed
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN disclosed
EP-3556435-B1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE BEIJING SHOWBY PHARMACEUTICAL CO LTD (CN) 2020-10-28 EP disclosed
EP-3556435-A1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE Beijing Showby Pharmaceutical Co., Ltd. (CN) 2019-10-23 EP disclosed
CN-110087729-A One kind has the dual-function compound of quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2019-08-02 CN disclosed
US-10059678-B2 Process for preparing olodaterol and intermediates thereof REDDY, G. Pratap (IN) 2018-08-28 US disclosed
US-20170260149-A1 A Process for Preparing Olodaterol and Intermediates Thereof REDDY, G. Pratap (IN) 2017-09-14 US disclosed
EP-1917253-B1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-8420809-B2 Process for the manufacturing of betamimetics BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
US-20110124859-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 US disclosed
US-20110124859-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 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
EP-2125759-A2 METHOD FOR PRODUCING BETAMIMETICS Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008090193-A2 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 WO disclosed
EP-1917253-A1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-07 EP 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
WO-2007020227-A1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 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 (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-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure AGTR2, AGTR1, ADRB2 MAOA 1291/4885MAOB 1583/4885CREBBP 3887/4885
US-20170260149-A1 A Process for Preparing Olodaterol and Intermediates Thereof CYP4A11, CYP11B1, CYP11B2 MAOA 391/4885MAOB 360/4885CREBBP 2529/4885
US-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS ADRA1D, ADRB1, ADRA1A MAOA 175/4885MAOB 200/4885CREBBP 1818/4885
US-10059678-B2 Process for preparing olodaterol and intermediates thereof CYP4A11, CYP11B1, CYP11B2 MAOA 367/4885MAOB 308/4885CREBBP 2605/4885
US-20100022770-A1 PROCESS FOR THE MANUFACTURING OF BETA MIMETICS ADRB1, ADRA1D, ADRB3 MAOA 314/4885MAOB 240/4885CREBBP 2918/4885
US-20110124859-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS ADRA1D, ADRB1, ADRA1A MAOA 175/4885MAOB 200/4885CREBBP 1818/4885

“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.