SCHEMBL3286751

SCHEMBL3286751

COc1ccc(OC[C@@H](O)CN(Cc2ccccc2)C2CCC(c3ccc(C(=O)O)cc3)CC2)cc1NS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.39
NR3C1 P04150 3/20 0.38
ADRB3 P13945 1/20 0.38
MCHR1 Q99705 2/20 0.37
ALDH1A1 P00352 3/20 0.37
TAS2R14 Q9NYV8 3/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
PTK2B Q14289 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL3576131 0.93 MRGPRX4 (0.40) KCNH2NR3C1ADRB3ALDH1A1PRMT5
SCHEMBL3576133 0.93 MRGPRX4 (0.40) KCNH2NR3C1ADRB3ALDH1A1PRMT5
SCHEMBL3287963 0.88 KCNH2 (0.38) KCNH2NR3C1ADRB3ALDH1A1PRMT5
SCHEMBL3287965 0.88 KCNH2 (0.38) KCNH2NR3C1ADRB3ALDH1A1PRMT5
SCHEMBL3290825 0.87 KCNH2 (0.42) KCNH2NR3C1ADRB3PRMT5WDR77
SCHEMBL3290827 0.87 KCNH2 (0.42) KCNH2NR3C1ADRB3PRMT5WDR77
SCHEMBL4804569 0.87 KCNH2 (0.40) KCNH2NR3C1ADRB3PRMT5WDR77
SCHEMBL4804580 0.87 KCNH2 (0.40) KCNH2NR3C1ADRB3PRMT5WDR77
SCHEMBL4804593 0.87 KCNH2 (0.40) KCNH2NR3C1ADRB3PRMT5WDR77
SCHEMBL2295688 0.86 MAPT (0.37) KCNH2NR3C1ADRB3MEN1KMT2A

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 9 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 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 KCNH2 1084/4885POLB 2036/4885NR3C1 101/4885
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 KCNH2 443/4885POLB 2746/4885NR3C1 197/4885
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 KCNH2 378/4885POLB 2182/4885NR3C1 104/4885

“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.