SCHEMBL2569901

SCHEMBL2569901

CC1(C)OCc2cc(C(O)CBr)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.38
AOC3 Q16853 1/20 0.33

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
SCHEMBL828863 1.00 ADRB2 (0.38) ADRB2AOC3
SCHEMBL9574119 0.89 ADRB2 (0.36) ADRB2AOC3
SCHEMBL1204929 0.86 NFKB1 (0.41) ADRB2AOC3
SCHEMBL2012341 0.86 NFKB1 (0.41) ADRB2AOC3
SCHEMBL17651818 0.86 ADRB2 (0.38) ADRB2AOC3
SCHEMBL1205580 0.86 NFKB1 (0.41) ADRB2AOC3
SCHEMBL27545534 0.83 HIF1A (0.31)
SCHEMBL5028104 0.82 UGT2B7 (0.35) ADRB2
SCHEMBL27543040 0.81 ADRB2 (0.32) ADRB2
SCHEMBL28745679 0.81 ADRB2 (0.32) ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
CN-101432268-B 4- (2-amino-1-hydroxyethyl) phenol derivatives as beta 2 adrenoreceptor agonists ALMIRALL LAB 2011-02-16 CN disclosed
CN-101432268-A 4- (2-amino-1-hydroxyethyl) phenol derivatives as beta 2 adrenoreceptor agonists ALMIRALL LAB (ES) 2009-05-13 CN disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
EP-2013183-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-01-14 EP disclosed
WO-2007124898-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS, ALMIRALL S.A. (ES) 2007-11-08 WO disclosed
CN-1266126-C Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2006-07-26 CN disclosed
CN-1501911-A Phenethanolamine derivatives for treatment of respiratory diseases 2004-06-02 CN disclosed
EP-1360174-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-11-12 EP disclosed
WO-2002066422-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-08-29 WO disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 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 (1 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-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 ADRB2 1/4885AOC3 468/4885

“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.