SCHEMBL522982

SCHEMBL522982

OCc1cc(C(O)CNCCCC(F)(F)C(F)(F)COCCCc2ccccc2)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.70
ADRB1 P08588 13/20 0.70
ADRB3 P13945 12/20 0.70
ADRA1D P25100 2/20 0.70
KDM4E B2RXH2 2/20 0.70
MEN1 O00255 2/20 0.70
TP53 P04637 2/20 0.70
CYP3A4 P08684 2/20 0.70
MAPK1 P28482 2/20 0.70
KMT2A Q03164 2/20 0.70
HTR1A P08908 1/20 0.70
CHRM5 P08912 1/20 0.70
DRD2 P14416 1/20 0.70
ADRA2B P18089 1/20 0.70
DRD4 P21917 1/20 0.70
SLC6A2 P23975 1/20 0.70
FPR3 P25089 1/20 0.70
HTR1D P28221 1/20 0.70
HTR1B P28222 1/20 0.70
HTR2A P28223 1/20 0.70

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
SCHEMBL5089018 1.00 ADRB2 (0.70) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL522981 1.00 ADRB2 (0.70) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL3438774 0.93 ADRB2 (0.60) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL29623614 0.86 ADRB2 (0.79) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL185284 0.86 ADRB2 (0.76) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL28335201 0.86 ADRB2 (0.79) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL185285 0.86 ADRB2 (0.76) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL28335190 0.86 ADRB2 (0.76) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL197442 0.86 ADRB2 (0.79) ADRB2ADRB1ADRB3ADRA1DKDM4E
SCHEMBL185460 0.86 ADRB2 (0.79) ADRB2ADRB1ADRB3ADRA1DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242177-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2012-08-14 US claimed
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-04-26 US claimed
EP-1885684-B9 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2012-04-25 EP claimed
EP-1885684-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-07-13 EP claimed
EP-2263998-A1 Derivatives of 4-(2-amino-1-hydroxyethyl) phenol as agonists of the beta2 adrenergic receptor Almirall S.A. (ES) 2010-12-22 EP claimed
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ALMIRALL, S.A. (ES) 2009-02-12 US claimed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed
CN-108026080-B Pyrazolyl-substituted heteroaryl compounds and their use as medicaments 勃林格殷格翰国际有限公司 2021-06-11 CN disclosed
US-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
US-20180194747-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INT (DE) 2018-07-12 US disclosed
US-9845314-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments BOEHRNGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-12-19 US disclosed
EP-2539323-B3 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2017-10-04 EP disclosed
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. 2011-10-13 US disclosed
EP-1885684-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-07-13 EP disclosed
US-7964615-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2011-06-21 US disclosed
EP-2263998-A1 Derivatives of 4-(2-amino-1-hydroxyethyl) phenol as agonists of the beta2 adrenergic receptor Almirall S.A. (ES) 2010-12-22 EP disclosed
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
EP-1885684-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2008-02-13 EP disclosed
WO-2006122788-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2006-11-23 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 (5 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-20180194747-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof SCNN1B, SCNN1A, TRPM5 ADRB2 366/4885ADRB1 554/4885ADRB3 413/4885
US-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 ADRB2 1410/4885ADRB1 887/4885ADRB3 1216/4885
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB3 ADRB2 1/4885ADRB1 4/4885ADRB3 3/4885
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885ADRB3 4/4885
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor ADRB2, ADRB1, ADRA2C 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.