SCHEMBL564845

SCHEMBL564845

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
ADRB2 P07550 7/20 0.45
ADRB1 P08588 5/20 0.43
CREBBP Q92793 1/20 0.42
GYS1 P13807 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP1 P09874 1/20 0.39
NAAA Q02083 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
SCHEMBL28944096 0.90 ADRB2 (0.43) MAOAMAOBADRB2ADRB1CREBBP
SCHEMBL29749604 0.88 ADRB2 (0.42) MAOAMAOBADRB2ADRB1CREBBP
SCHEMBL563580 0.88 ADRB2 (0.42) MAOAMAOBADRB2ADRB1CREBBP
SCHEMBL560342 0.87 MAOB (0.48) MAOAMAOBADRB2ADRB1CREBBP
SCHEMBL29498303 0.87 MAOB (0.48) MAOAMAOBADRB2ADRB1CREBBP
SCHEMBL1764304 0.85 MAOA (0.46) MAOAMAOBADRB2ADRB1CREBBP
SCHEMBL30223645 0.85 MAOA (0.46) MAOAMAOBADRB2ADRB1CREBBP
SCHEMBL561100 0.85 MAOA (0.46) MAOAMAOBADRB2ADRB1CREBBP
SCHEMBL12594506 0.81 ADRB2 (0.54) MAOAMAOBADRB2ADRB1
SCHEMBL18227270 0.80 MAOA (0.41) MAOAMAOBADRB2ADRB1CREBBP

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
EP-1562603-B3 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2014-01-08 EP disclosed
EP-1765355-B1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INT (DE) 2013-03-06 EP disclosed
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8044046-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2011-10-25 US disclosed
US-7786111-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-08-31 US disclosed
US-7727984-B2 R-6-Hydroxy-8-{1-hydroxy-2-[2-(4-methoxy-phenyl)-1,1-dimethyl-ethylamino ]-ethyl}-4H-benzo[1,4]oxazin-3-one, or an acid addition salt thereof; betamimetics; for administration once a day for treating COPD BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2010-06-01 US disclosed
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
EP-1562603-B1 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP disclosed
US-20090092558-A1 6-Hydroxy-8-{1-hydroxy-2-[2-(p-alkoxy- or carboxyalkoxyphenyl)-1,1-dimethylethylamino]ethyl}4H-benzo[1,4]oxazin-3-ones, e.g., 6-hydroxy-8-{1-hydroxy-2-[2-(4-phenoxyacetic acid)-1,1-dimethylethylamino]- ethyl}-4H-benzo[1,4]oxazin-3-one; betamimetics BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-09 US disclosed
EP-2025338-A1 New medicaments for the treatment of chronic ostructive pulmonary disease Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-02-18 EP disclosed
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 US disclosed
WO-2005110421-A2 AEROSOL FORMULATION FOR INHALATION OF BETA AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US disclosed
WO-2005102350-A1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US disclosed
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-06 US disclosed
EP-1562603-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-17 EP disclosed
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-29 US disclosed
WO-2004045618-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-03 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 (8 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-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists ADRB1, ADRB2, ADRB3 MAOA 947/4885MAOB 1027/4885ADRB2 2/4885
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES MRGPRX2, MRGPRX1, CFTR MAOA 856/4885MAOB 782/4885ADRB2 49/4885
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC26A4, CHRM1 MAOA 837/4885MAOB 795/4885ADRB2 27/4885
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases MRGPRX2, MRGPRX1, CFTR MAOA 856/4885MAOB 782/4885ADRB2 49/4885
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease CLIC1, OTC, SLC10A1 MAOA 1295/4885MAOB 1475/4885ADRB2 80/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B MAOA 705/4885MAOB 636/4885ADRB2 11/4885
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS ADRB1, ADRB2, ADRB3 MAOA 947/4885MAOB 1027/4885ADRB2 2/4885
US-20090092558-A1 6-Hydroxy-8-{1-hydroxy-2-[2-(p-alkoxy- or carboxyalkoxyphenyl)-1,1-dimethylethylamino]ethyl}4H-benzo[1,4]oxazin-3-ones, e.g., 6-hydroxy-8-{1-hydroxy-2-[2-(4-phenoxyacetic acid)-1,1-dimethylethylamino]- ethyl}-4H-benzo[1,4]oxazin-3-one; betamimetics CHRM1, CHRM2, ADRA2C MAOA 222/4885MAOB 494/4885ADRB2 6/4885

“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.