SCHEMBL2797646

SCHEMBL2797646

NC(=O)c1cc([C@H](O)CNCCc2cccc(OCC(F)(F)c3ccccc3)c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.53
ADRB1 P08588 6/20 0.51
DRD3 P35462 3/20 0.51
CYP2D6 P10635 2/20 0.51
ADRA2A P08913 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HTR1A P08908 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
OPRM1 P35372 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL4346773 1.00 ADRB2 (0.53) ADRB2ADRB1DRD3CYP2D6ADRA2A
SCHEMBL4326693 1.00 ADRB2 (0.53) ADRB2ADRB1DRD3CYP2D6ADRA2A
SCHEMBL2794135 0.89 ADRB2 (0.46) ADRB2ADRB1CYP2D6ADRB3
SCHEMBL2794305 0.85 ADRB2 (0.60) ADRB2ADRB1DRD3CYP2D6ADRA1D
SCHEMBL13170538 0.85 ADRB2 (0.60) ADRB2ADRB1DRD3CYP2D6ADRA1D
SCHEMBL2794303 0.85 ADRB2 (0.60) ADRB2ADRB1DRD3CYP2D6ADRA1D
SCHEMBL2797641 0.85 ADRB2 (0.75) ADRB2ADRB1DRD3CYP2D6ADRA1A
SCHEMBL4346835 0.85 ADRB2 (0.75) ADRB2ADRB1DRD3CYP2D6ADRA1A
SCHEMBL2797643 0.85 ADRB2 (0.75) ADRB2ADRB1DRD3CYP2D6ADRA1A
SCHEMBL2796159 0.82 ADRB2 (0.46) ADRB2ADRB1KDM4EADRB3GAA

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
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 claimed
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 claimed
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

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 1/4885ADRB1 2/4885DRD3 396/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD3 396/4885

“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.