SCHEMBL2008579

SCHEMBL2008579

CC1(C)OCc2cc(C(O)CNCCCC(F)(F)CCOCCCCc3ccccc3)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.47
ADRB1 P08588 18/20 0.47
ADRB3 P13945 17/20 0.47
CYP3A4 P08684 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 2/20 0.47
HTR1B P28222 2/20 0.47
CYP2D6 P10635 2/20 0.47
CHRM5 P08912 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
DRD4 P21917 1/20 0.47
SLC6A2 P23975 1/20 0.47
FPR3 P25089 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR1D P28221 1/20 0.47

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
SCHEMBL2008580 1.00 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL2008582 1.00 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL2829651 0.90 ADRB2 (0.57) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL14357339 0.90 ADRB2 (0.57) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL14357338 0.90 ADRB2 (0.57) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL2009688 0.88 ADRB2 (0.42) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL2009686 0.88 ADRB2 (0.42) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL2009690 0.88 ADRB2 (0.42) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL2007592 0.88 ADRB2 (0.45) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL2007595 0.88 ADRB2 (0.45) ADRB2ADRB1ADRB3CYP3A4KDM4E

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-8420669-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the BETA2 adrenergic receptor LABORATORIES ALMIRALL, S.A. (ES) 2013-04-16 US disclosed
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 disclosed
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 disclosed
US-20110251166-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR PUIG DURAN CARLOS 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110251166-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-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.