Sugi Predict

Sugi Predict / Compounds / SCHEMBL3294089

SCHEMBL3294089

SCHEMBL3294089

O=C(NC1CCC(c2ccc(C(=O)O)cc2)CC1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.64
▸ GAA P10253 1/20 0.64
▸ TSHR P16473 1/20 0.62
▸ EPHX1 P07099 1/20 0.55
▸ DPP4 P27487 5/20 0.51
▸ DPP7 Q9UHL4 5/20 0.51
▸ KCNH2 Q12809 3/20 0.51
▸ CTSL P07711 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ JAK2 O60674 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ NAAA Q02083 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL3294092 1.00 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3287926 0.85 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3287931 0.85 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948456 0.85 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 0.85 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.85 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.84 ALDH1A1 (0.83) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL27556446 0.82 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1DPP4
Methoxyamine SCHEMBL5122725 0.81 TSHR (0.75) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL9555876 0.80 ALDH1A1 (0.76) ALDH1A1GAATSHREPHX1DPP4

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-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
CN-1935787-A Cyclohexyl (alkyl) -propanolamines, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2007-03-28 — — CN disclosed
US-20070015745-A1 Cyclohexyl(alkyl)propanolamines, Preparation Method and Pharmaceutical Compositions Containing Same SANOFI-AVENTIS (FR) 2007-01-18 — — US disclosed
CN-1283622-C Cyclohexyl (alkyl) -propanolamines, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2006-11-08 — — CN disclosed
US-20040053916-A1 Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same SANOFI (FR) 2004-03-18 — — US disclosed
CN-1478074-A Cyclohexyl (alkyl) -propanolamines, process for their preparation and pharmaceutical compositions containing them ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-02-25 — — CN 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 ALDH1A1 2160/4885GAA 2712/4885TSHR 96/4885
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 ALDH1A1 2256/4885GAA 2874/4885TSHR 292/4885
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 ALDH1A1 794/4885GAA 2025/4885TSHR 438/4885

“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.