SCHEMBL2797922

SCHEMBL2797922

C[C@@H](Cc1cccc(OCC(F)(F)c2ccccc2)c1)NC[C@H](O)c1ccc2c(c1)COC(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.43
ADRB3 P13945 9/20 0.40
ADRB1 P08588 6/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1B P35368 2/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ALOX15 P16050 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
NR1I2 O75469 1/20 0.35
HTR1A P08908 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL2797921 1.00 ADRB2 (0.43) ADRB2ADRB3ADRB1ADRA1AADRA1D
SCHEMBL2797916 0.92 ADRB2 (0.42) ADRB2ADRB3ADRB1ADRA1AADRA1D
SCHEMBL2792242 0.89 ADRB2 (0.40) ADRB2ADRB3ADRB1ADRA1AADRA1D
SCHEMBL2746447 0.80 ADRB2 (0.42) ADRB2ADRB3ADRB1ADRA1AADRA1D
SCHEMBL5290635 0.78 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA1AADRA1D
SCHEMBL5283669 0.78 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA1AADRA1D
SCHEMBL2746443 0.78 ADRB2 (0.44) ADRB2ADRB3ADRB1ADRA1AADRA1D
SCHEMBL13170741 0.78 ADRB2 (0.59) ADRB2ADRB3ADRB1
SCHEMBL2795170 0.78 ADRB2 (0.59) ADRB2ADRB3ADRB1
SCHEMBL2795174 0.78 ADRB2 (0.59) ADRB2ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. 2015-07-30 US disclosed
EP-2057122-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2010-09-01 EP disclosed
US-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2010-07-01 US disclosed
EP-2057122-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-05-13 EP disclosed
WO-2008046598-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2008-04-24 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-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB3 4/4885ADRB1 2/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB3 4/4885ADRB1 2/4885

“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.