SCHEMBL5354829

SCHEMBL5354829

COc1ccc(C(O)CN(CCOc2ccc(O)c(C(N)=O)c2)Cc2ccccc2)cc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.47
HTT P42858 1/20 0.46
NR1H3 Q13133 5/20 0.46
MAOB P27338 3/20 0.44
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
ADRA1A P35348 3/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
SLC6A4 P31645 2/20 0.41
DRD3 P35462 2/20 0.41
HTR2B P41595 2/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 1/20 0.41
ADRA1D P25100 2/20 0.40

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
SCHEMBL5347623 0.84 MAOB (0.52) HCRTR2NR1H3MAOBADRB2ADRB1
SCHEMBL5347615 0.84 MAOB (0.52) HCRTR2NR1H3MAOBADRB2ADRB1
SCHEMBL5359397 0.84 MAOB (0.52) HCRTR2NR1H3MAOBADRB2ADRB1
SCHEMBL5351629 0.82 MAOB (0.48) HCRTR2NR1H3MAOBADRB2ADRB1
SCHEMBL11246930 0.81 NR1H3 (0.51) HCRTR2NR1H3MAOBALDH1A1
SCHEMBL11473661 0.81 ADRB2 (0.62) HCRTR2HTTNR1H3ADRB2ADRB1
SCHEMBL5366696 0.80 MAOB (0.49) HCRTR2NR1H3MAOB
SCHEMBL11400446 0.79 HCRTR2 (0.48) HCRTR2NR1H3MAOBALDH1A1
SCHEMBL11499603 0.79 ADRB2 (0.60) ADRB2ADRB1ADRA1AHTR1AADRA2A
SCHEMBL5353930 0.78 MAOB (0.59) HCRTR2NR1H3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247748-B2 Amide compounds and methods of using the same SMITHKLINE CORPORATION (US) 2007-07-24 US claimed
JP-2006514925-A 2006-05-18 JP claimed
EP-1497270-A4 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP claimed
US-20050107444-A1 Amide compounds and methods of using the same GLAXOSMITHKLINE LLC 2005-05-19 US claimed
EP-1497270-A1 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SmithKline Beecham Corporation (US) 2005-01-19 EP claimed
WO-2004043939-A1 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed
US-7247748-B2 Amide compounds and methods of using the same SMITHKLINE CORPORATION (US) 2007-07-24 US disclosed
EP-1497270-A4 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP disclosed
US-20050107444-A1 Amide compounds and methods of using the same GLAXOSMITHKLINE LLC 2005-05-19 US disclosed
EP-1497270-A1 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SmithKline Beecham Corporation (US) 2005-01-19 EP disclosed
WO-2004043939-A1 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed
EP-0030030-A1 Derivatives of 2-aminoethanol, processes for their preparation, pharmaceutical compositions containing such compounds and the use the latter CIBA-GEIGY AG (CH) 1981-06-10 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-20050107444-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA HCRTR2 740/4885HTT 4254/4885NR1H3 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.