SCHEMBL3838029

SCHEMBL3838029

CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.79
▸ ADRB1 P08588 9/20 0.79
▸ ADRB3 P13945 6/20 0.79
▸ PGR P06401 1/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53

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
SCHEMBL3838751 1.00 ADRB2 (0.79) ADRB2ADRB1ADRB3PGRDRD2
SCHEMBL3838033 1.00 ADRB2 (0.79) ADRB2ADRB1ADRB3PGRDRD2
SCHEMBL3840237 0.90 ADRB2 (0.76) ADRB2ADRB1ADRB3PGRDRD2
SCHEMBL3840242 0.90 ADRB2 (0.76) ADRB2ADRB1ADRB3PGRDRD2
SCHEMBL3840455 0.90 ADRB2 (0.76) ADRB2ADRB1ADRB3PGRDRD2
SCHEMBL774948 0.88 ADRB2 (1.00) ADRB2ADRB1ADRB3PGRDRD2
SCHEMBL13617661 0.87 ADRB2 (0.62) ADRB2ADRB1ADRB3
SCHEMBL30254965 0.85 ADRB2 (0.77) ADRB2ADRB1ADRB3PGRDRD2
SCHEMBL14260754 0.85 ADRB2 (0.77) ADRB2ADRB1ADRB3PGRDRD2
SCHEMBL3838435 0.85 ADRB2 (0.85) ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 — — EP claimed
EP-1446379-B1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-29 — — EP claimed
EP-1641465-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID Theravance, Inc. (US) 2006-04-05 — — EP claimed
WO-2005025555-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE, INC. (US) 2005-03-24 — — WO 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
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 — — EP disclosed
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 — — EP disclosed
US-7582765-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-09-01 — — 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 (4 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-20040063755-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRB3 3/4885
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.

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