SCHEMBL3429552

SCHEMBL3429552

C=CCN(CCC)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.47
ADH1C P00326 3/20 0.44
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
ALDH1A1 P00352 2/20 0.39
DRD3 P35462 6/20 0.38
HTR1A P08908 1/20 0.36
DRD2 P14416 4/20 0.34
DRD4 P21917 3/20 0.34
LMNA P02545 1/20 0.32

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
SCHEMBL3467156 0.84 ADH1A (0.44) ADH1AADH1CALDH1A1LMNA
SCHEMBL13656777 0.84 ADH1A (0.42) ADH1AADH1CHTR1DHTR1BALDH1A1
SCHEMBL30750 0.83 ALDH1A1 (0.41) ADH1AADH1CALDH1A1
SCHEMBL735136 0.82 ADH1A (0.47) ADH1AADH1CDRD3HTR1ADRD2
Fluoride SCHEMBL9620616 0.81 ALDH1A1 (0.40) ADH1AADH1CALDH1A1
Hydrochloric Acid SCHEMBL2957420 0.81 ALDH1A1 (0.40) ADH1AADH1CALDH1A1
Ammonia Solution, Strong SCHEMBL17439397 0.81 ALDH1A1 (0.40) ADH1AADH1CALDH1A1
SCHEMBL22541111 0.81 ADH1A (0.54) ADH1AADH1CDRD3HTR1ADRD2
SCHEMBL516269 0.81 ADH1A (0.54) ADH1AADH1CDRD3HTR1ADRD2
SCHEMBL11073680 0.81 ADH1A (0.54) ADH1AADH1CDRD3HTR1ADRD2

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 15 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-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-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
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
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
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 ADH1A 858/4885ADH1C 533/4885HTR1D 267/4885
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 ADH1A 385/4885ADH1C 361/4885HTR1D 492/4885
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 ADH1A 103/4885ADH1C 55/4885HTR1D 137/4885

“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.