SCHEMBL5280950

SCHEMBL5280950

CC(C)(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNCC(O)c2ccc(O)c(NC=O)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.80
ADRB1 P08588 19/20 0.80
ADRB3 P13945 19/20 0.80
CYP3A4 P08684 2/20 0.57
HTR1A P08908 2/20 0.57
CYP2D6 P10635 2/20 0.57
HTR1B P28222 2/20 0.57

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
SCHEMBL265153 1.00 ADRB2 (0.80) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL265152 1.00 ADRB2 (0.80) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL29390360 1.00 ADRB2 (0.80) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL5283973 0.89 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL266486 0.89 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL266487 0.89 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4807879 0.88 ADRB2 (0.84) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL3616766 0.88 ADRB2 (0.60) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4807888 0.88 ADRB2 (0.84) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL5116485 0.87 ADRB2 (0.97) ADRB2ADRB1ADRB3CYP3A4HTR1A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179019-A1 CRYSTALLINE FREEBASE FORMS OF A BIPHENYL COMPOUND THERAVANCE BIOPHARMA R&D IP LLC (US) 2025-06-05 US disclosed
US-20190262376-A1 COMPOSITIONS COMPRISING ANTISENSE-ENCODED ERYTHROPOIETIN RECEPTOR AND USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-08-29 US disclosed
EP-1370521-B1 FORMANILIDE DERIVATIVES AS BETA2-ADRENORECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
EP-1723108-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP disclosed
US-7045658-B2 prophylaxis and treatment of respiratory diseases; phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2006-05-16 US disclosed
EP-1633707-A1 1- (ALKYLAMINOALKYL-PYROLIDIN-/PIPERIDINYL) -2, 2-DIPHENYLACETAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-03-15 EP disclosed
EP-1592685-A1 BIPHENYL DERIVATIVES HAVING &bgr; sb 2 /sb ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY Theravance Inc (US) 2005-11-09 EP disclosed
WO-2005087733-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
WO-2005003090-A1 1- (ALKYLAMINOALKYL-PYROLIDIN-/PIPERIDINYL) -2, 2-DIPHENYLACETAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-01-13 WO disclosed
WO-2004074276-A1 BIPHENYL DERIVATIVES HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
US-20040157830-A1 Formailide derivatives as beta2-adrenoreceptor agonists GLAXO GROUP LIMITED (GB) 2004-08-12 US disclosed
EP-1370521-A1 FORMANILIDE DERIVATIVES AS BETA2-ADRENORECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2003-12-17 EP disclosed
WO-2002076933-A1 FORMAILIDE DERIVATIVES AS BETA2-ADRENORECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2002-10-03 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 (2 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-20040157830-A1 Formailide derivatives as beta2-adrenoreceptor agonists ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRB3 7/4885
US-20250179019-A1 CRYSTALLINE FREEBASE FORMS OF A BIPHENYL COMPOUND TBCB, FFAR1, CRYAB ADRB2 1997/4885ADRB1 865/4885ADRB3 1652/4885

“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.