SCHEMBL2566912

SCHEMBL2566912

CN(CCOCCCCCCNC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12)Cc1cccc(S(=O)(=O)C2CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.38
ADRB1 P08588 11/20 0.38
ADRB3 P13945 8/20 0.38
CYP3A4 P08684 2/20 0.38
HTR1A P08908 2/20 0.38
CYP2D6 P10635 2/20 0.38
HTR1B P28222 2/20 0.38
DRD2 P14416 3/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
FAAH O00519 1/20 0.32
CHRM3 P20309 3/20 0.31

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
SCHEMBL2570333 0.90 ADRB2 (0.35) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2578536 0.89 ADRB2 (0.46) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL2578535 0.89 ADRB2 (0.46) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL2565130 0.87 ADRB2 (0.33) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2563477 0.85 ADRB2 (0.40) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2560158 0.85 ADRB2 (0.37) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2565528 0.85 ADRB2 (0.38) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2570632 0.84 ADRB2 (0.44) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL4894373 0.81 ADRB2 (0.45) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2569612 0.80 ADRB2 (0.45) ADRB2ADRB1DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
EP-2013183-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-01-14 EP disclosed
WO-2007124898-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS, ALMIRALL S.A. (ES) 2007-11-08 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 (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-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885ADRB3 6/4885

“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.