SCHEMBL3287724

SCHEMBL3287724

CS(=O)(=O)Nc1cc(OC[C@@H](O)CNC2CCC(c3ccc(C#N)cc3)CC2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.50
HRH1 P35367 2/20 0.46
CCR3 P51677 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ADRB1 P08588 3/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
FASN P49327 1/20 0.40
ADRB2 P07550 1/20 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
SCHEMBL3287727 1.00 ADRB3 (0.50) ADRB3HRH1CCR3MEN1KMT2A
SCHEMBL4805698 0.90 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL4805686 0.90 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL4805693 0.90 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL3286920 0.89 ADRB3 (0.54) ADRB3MEN1KMT2AADRB1LMNA
SCHEMBL3286919 0.89 ADRB3 (0.54) ADRB3MEN1KMT2AADRB1LMNA
SCHEMBL4804960 0.88 ADRB3 (0.50) ADRB3MEN1KMT2AADRB1ALDH1A1
SCHEMBL4804931 0.88 ADRB3 (0.50) ADRB3MEN1KMT2AADRB1ALDH1A1
SCHEMBL3286941 0.87 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL3286937 0.87 ADRB3 (0.53) ADRB3ADRB1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718646-B2 Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2010-05-18 US claimed
US-20080261949-A1 ethyl 4-[4-(2-hydroxy-3-(4-hydroxy-3-(methylsulphonylamino)phenoxy)propylamino)cyclohexyl]benzoic acid; beta-3 adrenergic receptor agonist; tocolytics; delaying preterm birth; antidiabetic; obesity; oxyalkylation of the phenyl(alkyl)cyclohexyl(alkyl)amine with a glycidyl ether SANOFI-AVENTIS (FR) 2008-10-23 US claimed
US-7419974-B2 Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-09-02 US claimed
EP-1341753-B1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-26 EP claimed
US-20070015745-A1 Cyclohexyl(alkyl)propanolamines, Preparation Method and Pharmaceutical Compositions Containing Same SANOFI-AVENTIS (FR) 2007-01-18 US claimed
US-7718646-B2 Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2010-05-18 US disclosed
US-20080261949-A1 ethyl 4-[4-(2-hydroxy-3-(4-hydroxy-3-(methylsulphonylamino)phenoxy)propylamino)cyclohexyl]benzoic acid; beta-3 adrenergic receptor agonist; tocolytics; delaying preterm birth; antidiabetic; obesity; oxyalkylation of the phenyl(alkyl)cyclohexyl(alkyl)amine with a glycidyl ether SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-7419974-B2 Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-09-02 US disclosed
US-7388031-B2 Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-06-17 US disclosed
EP-1341753-B1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-26 EP disclosed
US-20070015745-A1 Cyclohexyl(alkyl)propanolamines, Preparation Method and Pharmaceutical Compositions Containing Same SANOFI-AVENTIS (FR) 2007-01-18 US disclosed
US-20040053916-A1 Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same SANOFI (FR) 2004-03-18 US disclosed
EP-1341753-A1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2003-09-10 EP disclosed
WO-2002044139-A1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-06-06 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 (3 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-20080261949-A1 ethyl 4-[4-(2-hydroxy-3-(4-hydroxy-3-(methylsulphonylamino)phenoxy)propylamino)cyclohexyl]benzoic acid; beta-3 adrenergic receptor agonist; tocolytics; delaying preterm birth; antidiabetic; obesity; oxyalkylation of the phenyl(alkyl)cyclohexyl(alkyl)amine with a glycidyl ether ADRB3, FFAR3, ADRB2 ADRB3 1/4885HRH1 389/4885CCR3 1016/4885
US-20070015745-A1 Cyclohexyl(alkyl)propanolamines, Preparation Method and Pharmaceutical Compositions Containing Same C5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R ADRB3 24/4885HRH1 27/4885CCR3 142/4885
US-20040053916-A1 Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADRA2C, ADRA1A ADRB3 16/4885HRH1 118/4885CCR3 228/4885

“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.