SCHEMBL2793404

SCHEMBL2793404

C[C@@H](Cc1ccc(OCC(F)(F)c2ccccc2)cc1)NC[C@@H](O)c1ccc(OCc2ccccc2)c(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.47
ADRB1 P08588 9/20 0.47
ADRB3 P13945 9/20 0.47
CYP2D6 P10635 4/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
ADRA2A P08913 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HIF1A Q16665 2/20 0.46
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL2823748 0.89 ADRB2 (0.58) ADRB2ADRB1ADRB3CYP2D6ADRA1D
SCHEMBL2797228 0.87 KIFC1 (0.38) ADRB2ADRB1ADRB3CYP2D6ADRA1D
SCHEMBL2793400 0.87 ADRB2 (0.53) ADRB2ADRB1ADRB3CYP2D6ADRA1D
SCHEMBL2793403 0.87 ADRB2 (0.53) ADRB2ADRB1ADRB3CYP2D6ADRA1D
Formic Acid SCHEMBL2792053 0.86 ADRB2 (0.56) ADRB2ADRB1ADRB3CYP2D6ADRA1D
SCHEMBL2796159 0.85 ADRB2 (0.46) ADRB2ADRB1ADRB3KDM4EGAA
SCHEMBL2853299 0.83 ADRB2 (0.54) ADRB2ADRB1ADRB3CYP2D6ADRA1D
SCHEMBL2853304 0.83 ADRB2 (0.54) ADRB2ADRB1ADRB3CYP2D6ADRA1D
SCHEMBL2853303 0.83 ADRB2 (0.54) ADRB2ADRB1ADRB3CYP2D6ADRA1D
SCHEMBL2798250 0.80 ADRB3 (0.49) ADRB2ADRB1ADRB3CYP2D6ADRA1D

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 3 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

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 2/4885ADRB3 4/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885ADRB3 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.