SCHEMBL5127318

SCHEMBL5127318

NS(=O)(=O)c1cccc(CCCCOCCCCCCN(Cc2ccccc2)C(=O)Cc2ccc(OCc3ccccc3)c3c2OCC(=O)N3)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.40
DRD2 P14416 3/20 0.40
DRD1 P21728 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
ADRB1 P08588 7/20 0.36
ADRB3 P13945 7/20 0.36
SMYD2 Q9NRG4 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAF1 P04049 1/20 0.34
MAP2K1 Q02750 1/20 0.34
CA12 O43570 5/20 0.34
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA4 P22748 1/20 0.33

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
SCHEMBL5127611 0.83 ADRB2 (0.44) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL5127314 0.82 ADRB2 (0.39) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL5126921 0.81 RAF1 (0.40) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL5117174 0.74 ADRB2 (0.37) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL5112684 0.72 ADRB1 (0.48) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL8673668 0.68 BCHE (0.42)
SCHEMBL5112971 0.66 ADRB1 (0.68) ADRB2ADRB1ADRB3
SCHEMBL5120422 0.66 ADRB2 (0.42) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL5120429 0.66 ADRB2 (0.42) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL11020427 0.66 LTB4R (0.53)

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
US-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 US disclosed
US-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2006-05-25 US disclosed
EP-1525180-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-27 EP disclosed
WO-2004016578-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-02-26 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-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds ADRB2, ADRB1, ADRA2A ADRB2 1/4885DRD2 329/4885DRD1 1000/4885

“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.