SCHEMBL1205795

SCHEMBL1205795

CC(Cc1cccc(NC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc2c(c1)COC(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.34
ADRB3 P13945 2/20 0.34
ADRB1 P08588 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CHRM3 P20309 6/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
IDH2 P48735 3/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPY2R P49146 1/20 0.31
MTTP P55157 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL1205793 1.00 ADRB2 (0.34) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL1205430 0.87 ADRB2 (0.46) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL1205434 0.87 ADRB2 (0.46) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL1206030 0.75 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL1206028 0.75 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL2748426 0.75 ADRB2 (0.32) ADRB2
SCHEMBL2748428 0.73 ADRB2 (0.31) ADRB2
SCHEMBL2748429 0.73 ADRB2 (0.31) ADRB2
SCHEMBL2824703 0.73 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL2824699 0.73 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028442-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2011-02-03 US disclosed
EP-2096105-A1 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the b2 adrenergic receptor Laboratorios Almirall, S.A. (ES) 2009-09-02 EP 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 (1 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-20110028442-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.