SCHEMBL140370

SCHEMBL140370

CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 1.00
ADRB1 P08588 18/20 1.00
ADRB3 P13945 16/20 1.00
CHRM2 P08172 1/20 1.00

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
SCHEMBL29798801 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3CHRM2
SCHEMBL1424738 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3CHRM2
SCHEMBL29504714 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3CHRM2
Water SCHEMBL5708338 0.98 ADRB2 (0.97) ADRB2ADRB1ADRB3CHRM2
Water SCHEMBL5708336 0.98 ADRB2 (0.97) ADRB2ADRB1ADRB3CHRM2
Oxalic Acid SCHEMBL777027 0.97 ADRB2 (0.94) ADRB2ADRB1ADRB3CHRM2
Sulfuric Acid SCHEMBL774901 0.97 ADRB2 (0.94) ADRB2ADRB1ADRB3CHRM2
SCHEMBL14192194 0.93 ADRB2 (0.88) ADRB2ADRB1ADRB3CHRM2
SCHEMBL3189935 0.93 ADRB2 (0.88) ADRB2ADRB1ADRB3CHRM2
Cinnamic Acid SCHEMBL2967680 0.90 ADRB2 (0.81) ADRB2ADRB1ADRB3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994165-B2 Aryl aniline derivatives as β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2011-08-09 US claimed
EP-1706371-B1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2011-04-06 EP claimed
US-7772250-B2 Salts of 5-[(R)-2-(2-{4-[4-(2-amino-2-methyl-propoxy)-phenylamino]-phenyl}-ethylamino)-1-hydroxy-ethyl]-8-hydroxy-1H-quinolin-2-one THERAVANCE, INC. (US) 2010-08-10 US claimed
US-20100087410-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2010-04-08 US claimed
US-7622467-B2 5-[(R)-2-(2-{4-[4-(2-amino-2-methyl-propoxy)-phenylamino]-phenyl}-ethylamino)-1-hydroxy-ethyl]-8-hydroxy-1H-quinolin-2-one; extended duration of action; potency, selectivity; asthma, chronic obstructive pulmonary disease, antiinflammatory, pre-term labor, neurological and cardiac disorders THERAVANCE, INC. (US) 2009-11-24 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
US-20080125462-A1 Cinnamate Salts Of A Beta-2 Adrenergic Agonist GLAXO GROUP LIMITED (GB) 2008-05-29 US claimed
EP-1846374-A1 CINNAMATE SALTS OF A BETA-2 ADRENERGIC AGONIST GLAXO GROUP LIMITED (GB) 2007-10-24 EP claimed
WO-2007109698-A2 NOVEL FORMULATIONS GLAXO GROUP LIMITED (GB) 2007-09-27 WO claimed
EP-1706371-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2006-10-04 EP claimed
US-20060189654-A1 Novel compounds THERAVANCE BIOPHARMA R&D IP, LLC 2006-08-24 US claimed
WO-2006074897-A1 CINNAMATE SALTS OF A BETA-2 ADRENERGIC AGONIST GLAXO GROUP LIMITED (GB) 2006-07-20 WO claimed
WO-2006008173-A2 PHARMACEUTICAL FORMULATIONS FOR INHALATION GLAXO GROUP LIMITED (GB) 2006-01-26 WO claimed
WO-2005070872-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-08-04 WO claimed
US-20050159448-A1 Aryl aniline derivatives as beta2 adrenergic receptor agonists THERAVANCE, INC. 2005-07-21 US claimed
US-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-01-17 US disclosed
US-20220324875-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-13 US 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

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-20090123391-A1 Novel Formulations PFN1, CCL11, MFAP1 ADRB2 61/4885ADRB1 79/4885ADRB3 25/4885
US-20080125462-A1 Cinnamate Salts Of A Beta-2 Adrenergic Agonist ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRB3 4/4885
US-20060189654-A1 Novel compounds CUL2, CUL3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADRB2 749/4885ADRB1 840/4885ADRB3 555/4885
US-20220324875-A1 CHEMICAL COMPOUNDS PIK3CA, PIK3CD, PIK3CB ADRB2 3588/4885ADRB1 2903/4885ADRB3 2173/4885
US-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity CDK3, CDK13, AKT3 ADRB2 2326/4885ADRB1 2244/4885ADRB3 668/4885
US-20050159448-A1 Aryl aniline derivatives as beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRB3 4/4885
US-20100087410-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRB3 4/4885

“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.