SCHEMBL335742

SCHEMBL335742

COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 1.00
ADRB1 P08588 15/20 1.00
ADRB3 P13945 12/20 1.00
DRD2 P14416 2/20 0.68
DRD1 P21728 2/20 0.68
DRD4 P21917 2/20 0.68
DRD3 P35462 2/20 0.68
CHRM2 P08172 1/20 0.61

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
SCHEMBL29390087 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL246986 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL29798936 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2DRD1
Hydrochloric Acid SCHEMBL4385888 0.99 ADRB2 (0.98) ADRB2ADRB1ADRB3DRD2DRD1
Hydrochloric Acid SCHEMBL4393368 0.98 ADRB2 (0.97) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL3973897 0.96 ADRB2 (0.92) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL3842080 0.94 ADRB2 (0.89) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL3838014 0.93 ADRB2 (0.87) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL3844725 0.93 ADRB2 (0.87) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL3837610 0.93 ADRB2 (0.86) ADRB2ADRB1ADRB3DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227547-A1 Novel salt form of a Beta2-adrenergic agonist quinolin-2-one derivative GLAXO GROUP LIMITED (GB) 2009-09-10 US claimed
US-20090123391-A1 Novel Formulations 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-05-14 US claimed
EP-2012797-A2 NOVEL FORMULATIONS GLAXO GROUP LIMITED (GB) 2009-01-14 EP claimed
EP-1996158-A2 NOVEL FORMULATIONS 3M Innovative Properties Company (US) 2008-12-03 EP claimed
WO-2007117911-A2 NOVEL FORMULATIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-18 WO claimed
WO-2007109698-A2 NOVEL FORMULATIONS GLAXO GROUP LIMITED (GB) 2007-09-27 WO claimed
WO-2006008173-A2 PHARMACEUTICAL FORMULATIONS FOR INHALATION GLAXO GROUP LIMITED (GB) 2006-01-26 WO claimed
US-20040059116-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2004-03-25 US claimed
US-6653323-B2 Such as n-(2-(4-(3-phenyl-4-methoxyphenyl)aminophenyl)ethyl)--2-hydroxy-2-(3 -hydroxymethyl-4-hydroxyphenyl)ethylamine; pulmonary diseases THERAVANCE, INC. 2003-11-25 US claimed
US-20030153597-A1 Aryl aniline beta2 adrenergic receptor agonists GLOBAL CASH ACCESS, L.L.C. 2003-08-14 US claimed
WO-2003042160-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2003-05-22 WO claimed
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
EP-2152341-B2 ATOMIZER IN THE FORM OF AN INHALER FOR MEDICAL AEROSOL THERAPY BOEHRINGER INGELHEIM PHARMA (DE) 2025-04-02 EP disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-04-09 US disclosed
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2003-12-11 US disclosed
US-6653323-B2 Such as n-(2-(4-(3-phenyl-4-methoxyphenyl)aminophenyl)ethyl)--2-hydroxy-2-(3 -hydroxymethyl-4-hydroxyphenyl)ethylamine; pulmonary diseases THERAVANCE, INC. 2003-11-25 US disclosed
US-20030153597-A1 Aryl aniline beta2 adrenergic receptor agonists GLOBAL CASH ACCESS, L.L.C. 2003-08-14 US disclosed
WO-2003042164-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC (US) 2003-05-22 WO disclosed
WO-2003042160-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2003-05-22 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 (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-20090123391-A1 Novel Formulations PFN1, CCL11, MFAP1 ADRB2 61/4885ADRB1 79/4885ADRB3 25/4885
US-20040059116-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRB3 3/4885
US-20090227547-A1 Novel salt form of a Beta2-adrenergic agonist quinolin-2-one derivative ADRB2, ADRA2B, ADRB1 ADRB2 1/4885ADRB1 3/4885ADRB3 7/4885
US-20030153597-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRB3 3/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885ADRB3 421/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885ADRB3 421/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ADRB2 1836/4885ADRB1 1307/4885ADRB3 1299/4885
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRB3 3/4885

“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.