SCHEMBL1205680

SCHEMBL1205680

CC(C)(C)[Si](C)(C)O[C@@H](CNCCc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.43
DRD2 P14416 3/20 0.43
DRD1 P21728 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
ADRB1 P08588 10/20 0.40
ADRB3 P13945 5/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 1/20 0.39
CHRM2 P08172 1/20 0.38

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
SCHEMBL1205672 0.93 ADRB2 (0.43) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL17979458 0.90 ADRB2 (0.49) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL17979457 0.90 ADRB2 (0.49) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL776543 0.89 ADRB2 (0.45) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL962871 0.89 ADRB2 (0.45) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL13708455 0.89 ADRB2 (0.45) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL4901471 0.88 ADRB2 (0.45) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL19770228 0.87 ADRB2 (0.43) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL22829253 0.87 ADRB2 (0.43) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL776477 0.86 ADRB2 (0.49) ADRB2DRD2DRD1DRD4DRD3

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 1/4885DRD2 192/4885DRD1 679/4885

“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.