SCHEMBL776314

SCHEMBL776314

CC(C)(C)[Si](C)(C)OC(CBr)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADRB1 P08588 6/20 0.37
PIK3CG P48736 1/20 0.35
LMNA P02545 1/20 0.34
DRD2 P14416 2/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL384325 1.00 ADRB2 (0.39) ADRB2ADORA3ADRB1PIK3CGLMNA
SCHEMBL18016231 0.91 ADRB2 (0.39) ADRB2ADORA3ADRB1PIK3CGLMNA
SCHEMBL3586934 0.90 ADRB2 (0.39) ADRB2ADORA3ADRB1PIK3CGLMNA
SCHEMBL14617522 0.90 ADRB2 (0.39) ADRB2ADORA3ADRB1PIK3CGLMNA
SCHEMBL1310653 0.89 ADRB2 (0.40) ADRB2ADORA3ADRB1DRD2DRD1
SCHEMBL1310655 0.89 ADRB2 (0.40) ADRB2ADORA3ADRB1DRD2DRD1
SCHEMBL385179 0.87 ADRB2 (0.39) ADRB2ADORA3ADRB1DRD2DRD1
SCHEMBL5999450 0.87 ADRB2 (0.39) ADRB2ADORA3ADRB1DRD2DRD1
SCHEMBL28434009 0.86 ADRB2 (0.40) ADRB2ADORA3ADRB1PIK3CGLMNA
SCHEMBL28880252 0.86 ADRB2 (0.40) ADRB2ADORA3ADRB1PIK3CGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
CN-110128339-B Synthetic method and intermediate for indacaterol and salt derivative thereof 苏州芝宇生物科技有限公司 2022-03-08 CN disclosed
EP-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 EP disclosed
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP disclosed
CN-111574529-A Muscarinic receptor M3 antagonists and β 2-adrenergic receptor agonist bridged ring derivatives 四川海思科制药有限公司 2020-08-25 CN disclosed
EP-3345904-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-07-29 EP disclosed
EP-3345904-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-07-29 EP disclosed
CN-111423434-A Carbonamide derivative and preparation method thereof 四川海思科制药有限公司 2020-07-17 CN disclosed
CN-107207473-B Compounds having muscarinic receptor antagonist and β 2 adrenergic receptor agonist activity 奇斯药制品公司 2020-07-07 CN disclosed
EP-3092217-B1 A NOVEL PROCESS FOR PREPARATION OF INDACATEROL OR ITS PHARMACEUTICALLY ACCEPTABLE SALTS DAVULURI RAMAMOHAN RAO (IN) 2020-06-03 EP disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
EP-2013183-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-01-14 EP disclosed
WO-2008046598-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2008-04-24 WO disclosed
WO-2007124898-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS, ALMIRALL S.A. (ES) 2007-11-08 WO disclosed
EP-1706371-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2006-10-04 EP disclosed
EP-1687257-A2 AMINO-SUBSTITUTED ETHYLAMINO &Bgr;2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2006-08-09 EP disclosed
WO-2005070872-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-08-04 WO disclosed
US-20050159448-A1 Aryl aniline derivatives as beta2 adrenergic receptor agonists THERAVANCE, INC. 2005-07-21 US disclosed
WO-2005030678-A2 AMINO-SUBSTITUTED ETHYLAMINO β2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-04-07 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 (3 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-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADORA3 260/4885ADRB1 3/4885
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADORA3 164/4885ADRB1 3/4885
US-20050159448-A1 Aryl aniline derivatives as beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADORA3 26/4885ADRB1 2/4885

“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.