SCHEMBL4811200

SCHEMBL4811200

O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCNCC1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.86
ADRB1 P08588 20/20 0.86
ADRB3 P13945 20/20 0.86
CYP3A4 P08684 2/20 0.72
HTR1A P08908 2/20 0.72
CYP2D6 P10635 2/20 0.72
HTR1B P28222 2/20 0.72

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
Acetic Acid SCHEMBL4804725 0.96 ADRB2 (0.87) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4801537 0.92 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4806064 0.91 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4804716 0.89 ADRB2 (0.71) ADRB2ADRB1ADRB3CYP3A4HTR1A
Acetic Acid SCHEMBL4806061 0.89 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL5250937 0.88 ADRB2 (0.88) ADRB2ADRB1ADRB3CYP3A4HTR1A
Acetic Acid SCHEMBL4806243 0.88 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4806139 0.86 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4811126 0.86 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4805606 0.86 ADRB2 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442719-B2 Methods using phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-7442837-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-7442836-B2 Prophylaxis of respiratory disorders and therapy, also metod of synthesis and composition with PDE4 inhibitor, corticosteroid hibitor or anticholinergic agent GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-20070004807-A1 e.g. 2-[9-chloro-6-(3-hydroxy-3-methylbutyl-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile; microsomal prostaglandin E synthase inhibitor; analgesic, antiinflammatory agent; osteoarthritis, rheumatoid arthritis and acute or chronic pain; side effect reducer GLAXO GROUP LIMITED (GB) 2007-01-04 US disclosed
US-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
US-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
US-7135600-B2 Selective beta 2-adrenoreceptor agonists; rapid onset of action, long duration; such as 3-(4-{[6-{(-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)benzenesulfonamide; synthesis GLAXO GROUP LIMITED (GB) 2006-11-14 US disclosed
US-20040180876-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2004-09-16 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 (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-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885
US-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885
US-20040180876-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885
US-20070004807-A1 e.g. 2-[9-chloro-6-(3-hydroxy-3-methylbutyl-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile; microsomal prostaglandin E synthase inhibitor; analgesic, antiinflammatory agent; osteoarthritis, rheumatoid arthritis and acute or chronic pain; side effect reducer PTGS1, PTGES, PTGES2 ADRB2 701/4885ADRB1 369/4885ADRB3 831/4885

“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.