SCHEMBL593753

SCHEMBL593753

COc1ccc(CC(C)NCC(O)c2ccc(O)c(N)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.69
ADRB1 P08588 5/20 0.69
ADRB3 P13945 3/20 0.69
DRD2 P14416 2/20 0.69
SLC6A4 P31645 2/20 0.69
ADRA1A P35348 2/20 0.69
PGR P06401 1/20 0.69
PTGS2 P35354 1/20 0.69
SLC6A3 Q01959 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
DRD3 P35462 1/20 0.69
HTR1A P08908 1/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL29866225 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL721150 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL27657195 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL15271352 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL593754 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL11810215 0.89 ADRB2 (0.73) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL4684534 0.89 ADRA1A (0.71) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL594467 0.86 ADRB2 (0.70) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL594466 0.86 ADRB2 (0.70) ADRB2ADRB1ADRB3DRD2SLC6A4
Salmefamol SCHEMBL20285629 0.85 ADRB2 (0.67) ADRB2ADRB1ADRB3DRD2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115656376-A Method for separating and detecting formoterol related substances 苏州易合医药有限公司 2023-01-31 CN claimed
US-20190105404-A1 INHALANT FORMULATION CONTAINING SULFOALKYL ETHER CYCLODEXTRIN AND CORTICOSTEROID CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-04-11 US claimed
EP-3238708-A1 INHALANT FORMULATION CONTAINING CYCLODEXTRIN AND CORTICOSTEROID CyDex Pharmaceuticals, Inc. (US) 2017-11-01 EP claimed
EP-1732512-B1 INHALANT FORMULATION CONTAINING SULFOALKYL ETHER CYCLODEXTRIN AND CORTICOSTEROID CYDEX PHARMACEUTICALS INC (US) 2017-03-22 EP claimed
CN-101636144-A Inhalation formulations containing sulfoalkyl ether cyclodextrins and corticosteroids CYDEX INC 2010-01-27 CN claimed
EP-1729724-A4 INHALENT FORMULATION CONTAINING SULFOALKYL ETHER GAMMA-CYCLODEXTRYN AND CORTICOSTEROID CYDEX INC (US) 2008-07-23 EP claimed
CN-1976679-A Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid CYDEX INC (US) 2007-06-06 CN claimed
CN-1921834-A Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid prepared from a unit dose suspension CYDEX INC (US) 2007-02-28 CN claimed
CN-1921830-A Inhalant formulation containing sulfoalkyl ether gamma-cyclodextrin and corticosteroid CYDEX INC (US) 2007-02-28 CN claimed
US-20070020299-A1 Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid CYDEX PHARMACEUTICALS, INC. 2007-01-25 US claimed
US-20070020298-A1 Inhalant formulation containing sulfoalkyl ether gamma-cyclodextrin and corticosteroid CYDEX PHARMACEUTICALS, INC. 2007-01-25 US claimed
US-20070020196-A1 Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid prepared from a unit dose suspension CYDEX PHARMACEUTICALS, INC. 2007-01-25 US claimed
EP-1729724-A1 INHALENT FORMULATION CONTAINING SULFOALKYL ETHER GAMMA-CYCLODEXTRYN AND CORTICOSTEROID Cydex Inc. (US) 2006-12-13 EP claimed
WO-2005065649-A1 INHALANT FORMULATION CONTAINING SULFOALKYL ETHER Ϝ-CYCLODEXTRIN AND CORTICOSTEROID CYDEX, INC. (US) 2005-07-21 WO claimed
US-20040023935-A1 Inhalation compositions, methods of use thereof, and process for preparation of same DEY, L.P. 2004-02-05 US claimed
CN-115656376-A Method for separating and detecting formoterol related substances 苏州易合医药有限公司 2023-01-31 CN disclosed
EP-3520779-B1 DPI FORMULATION CONTAINING SULFOALKYL ETHER CYCLODEXTRIN CYDEX PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
WO-1999067198-A1 DESFORMOTEROL AND PROCESS FOR ITS PREPARATION SEPRACOR INC. (US) 1999-12-29 WO disclosed
US-5965622-A BRONCHODILATORS; HIGHLY SELECTIVE BETA 2-ADRENERGIC RECEPTOR AGONIST; RESPIRATORY DISORDERS, E.G. ASTHMA, BRONCHITIS; REDUCTION OF A PROTECTED NITRO DERIVATIVE; STEREOSPECIFIC SEPRACOR INC. (US) 1999-10-12 US disclosed
US-5965622-A BRONCHODILATORS; HIGHLY SELECTIVE BETA 2-ADRENERGIC RECEPTOR AGONIST; RESPIRATORY DISORDERS, E.G. ASTHMA, BRONCHITIS; REDUCTION OF A PROTECTED NITRO DERIVATIVE; STEREOSPECIFIC SEPRACOR INC. (US) 1999-10-12 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-20040023935-A1 Inhalation compositions, methods of use thereof, and process for preparation of same IL5, CHRM3, NOX5 ADRB2 19/4885ADRB1 24/4885ADRB3 17/4885
US-20070020298-A1 Inhalant formulation containing sulfoalkyl ether gamma-cyclodextrin and corticosteroid STS, RORC, HSD11B1 ADRB2 443/4885ADRB1 250/4885ADRB3 525/4885
US-20070020196-A1 Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid prepared from a unit dose suspension SAE1, STS, PDCD2L ADRB2 1161/4885ADRB1 815/4885ADRB3 1473/4885
US-20190105404-A1 INHALANT FORMULATION CONTAINING SULFOALKYL ETHER CYCLODEXTRIN AND CORTICOSTEROID STS, SAE1, PDCD2L ADRB2 1076/4885ADRB1 805/4885ADRB3 1392/4885
US-20070020299-A1 Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid STS, SAE1, PDCD2L ADRB2 1076/4885ADRB1 805/4885ADRB3 1392/4885

“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.