SCHEMBL246986

SCHEMBL246986

COc1ccc(Nc2ccc(CCNC[C@H](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
SCHEMBL335742 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL29390087 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 428 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-17 US claimed
US-20090298742-A1 PROCESS FOR MANUFACTURING LACTOSE GLAXO GROUP LIMITED (GB) 2009-12-03 US claimed
EP-1622875-B1 CRYSTALLINE FORMS OF AN ARYLANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST THERAVANCE INC (US) 2009-12-02 EP claimed
US-20090291146-A1 PROCESS FOR MANUFACTURING LACTOSE GLAXO GROUP LIMITED 2009-11-26 US claimed
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 EP claimed
US-7582765-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-09-01 US claimed
EP-1446379-B1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-29 EP claimed
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-27 US claimed
US-7125892-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2006-10-24 US claimed
US-7060712-B2 Crystalline form of aryl aniline β2 adrenergic receptor agonist THERAVANCE, INC. (US) 2006-06-13 US claimed
US-20040224982-A1 Crystalline form of aryl aniline beta-2 adrenergic receptor agonist THERAVANCE BIOPHARMA R&D IP, LLC 2004-11-11 US claimed
EP-1446379-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2004-08-18 EP claimed
US-20040063755-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2004-04-01 US claimed
US-20040059116-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2004-03-25 US claimed
US-6670376-B1 Asthma or chronic obstructive pulmonary disease; pre-term labor, neurological and cardiac disorders, inflammation; N-(2-(4-(3-phenyl-4-methoxyphenyl) aminophenyl)ethyl)-(R)-2-hydroxy-2-(3- hydroxymethyl-4-hydroxyphenyl)ethylamine THERAVANCE, INC. 2003-12-30 US claimed
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2003-12-11 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-2003042164-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC (US) 2003-05-22 WO claimed
WO-2003042160-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2003-05-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20040059116-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRB3 3/4885
US-20030153597-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRB3 3/4885
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885ADRB3 2/4885
US-20040063755-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRB3 3/4885
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ADRB2 14/4885ADRB1 7/4885ADRB3 13/4885
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRB3 3/4885
US-20040224982-A1 Crystalline form of aryl aniline beta-2 adrenergic receptor agonist ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885ADRB3 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.