SCHEMBL2294588

SCHEMBL2294588

CCOC(=O)c1ccc(C2CCC(NC[C@H](O)COc3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.49
ADRB1 P08588 6/20 0.46
ADRB2 P07550 4/20 0.46
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 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
SCHEMBL5264326 1.00 ADRB3 (0.49) ADRB3ADRB1ADRB2MAPTHPGD
SCHEMBL5261882 1.00 ADRB3 (0.49) ADRB3ADRB1ADRB2MAPTHPGD
SCHEMBL12380677 1.00 ADRB3 (0.49) ADRB3ADRB1ADRB2MAPTHPGD
Hydrochloric Acid SCHEMBL2294584 0.99 ADRB3 (0.48) ADRB3ADRB1ADRB2MAPT
SCHEMBL3295608 0.91 ADRB3 (0.49) ADRB3ADRB1ADRB2MAPT
SCHEMBL3290363 0.91 ADRB3 (0.49) ADRB3ADRB1ADRB2MAPT
SCHEMBL3694688 0.91 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL3286941 0.91 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL3286937 0.91 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL3289811 0.90 ADRB3 (0.42) ADRB3ADRB1ADRB2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419974-B2 Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-09-02 US claimed
US-7388031-B2 Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-06-17 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-20040053916-A1 Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same SANOFI (FR) 2004-03-18 US claimed
US-20110190529-A1 METHOD FOR PREPARING THE ETHYL ESTER OF 4-[TRANS-4-[(PHENYLMETHYL)-AMINO]CYCLOHEXYL]BENZOIC ACID AND THE HEMIFUMARATE SALT THEREOF SANOFI-AVENTIS (FR) 2011-08-04 US 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-20110190529-A1 METHOD FOR PREPARING THE ETHYL ESTER OF 4-[TRANS-4-[(PHENYLMETHYL)-AMINO]CYCLOHEXYL]BENZOIC ACID AND THE HEMIFUMARATE SALT THEREOF CYP4F11, CYP51A1, CYP4F2 ADRB3 3011/4885ADRB1 2450/4885ADRB2 3161/4885
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 24/4885ADRB1 43/4885ADRB2 32/4885
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 16/4885ADRB1 11/4885ADRB2 10/4885

“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.