SCHEMBL751969

SCHEMBL751969

CC(C)(C)OC(=O)NCCC(O)CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
EPHX1 P07099 1/20 0.42
CTSS P25774 4/20 0.40
CTSK P43235 4/20 0.40
MALT1 Q9UDY8 1/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNA5 P22460 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL5019057 0.91 MEN1 (0.61) MEN1GAAKMT2ATDP1MAOA
SCHEMBL14744213 0.90 MEN1 (0.66) MEN1GAAKMT2ATDP1MAOA
SCHEMBL754326 0.90 MEN1 (0.66) MEN1GAAKMT2ATDP1MAOA
SCHEMBL23690865 0.86 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL17452213 0.86 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8194926 0.86 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL22433494 0.86 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL16917206 0.84 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1022696 0.84 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL17144126 0.84 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908759-B1 3,4-dihydro-3-amino-2H-1-benzopyrane and -benzothiopyrane derivatives as dopamine-beta-hydroxylase Inhibitors and methods of their preparation BIAL PORTELA & CA SA (PT) 2012-03-21 EP disclosed
EP-1908760-B1 Chromane and thiochromane-3-yl-1,3-dihydroimidazoles as inhibitors of dopamine-beta-hydroxylase and methods of their preparation BIAL PORTELA & CA SA (PT) 2011-04-13 EP disclosed
EP-1914233-B1 Silyl-protected hydroxymethyl-carbamoylalkyl-ketones as intermediates in the preparation of dopamine-beta-hydroxylase inhibitors PORTELA & CA SA (PT) 2011-03-02 EP disclosed
EP-1911757-B1 Method of preparation of 3-(1,3-Dihydroimidazole-2-thione-1-yl)-chromanes and thiochromanes as dopamine-beta-hydroxylase inhibitors PORTELA & CA SA (PT) 2011-03-02 EP disclosed
US-20100286219-A1 1, 3-Dihydroimidazoles for Treating Cardiovascular Disorders BIAL - PORTELA & CA S.A. (PT) 2010-11-11 US disclosed
EP-2111262-A2 1,3-DIHYDROIMIDAZOLES FOR TREATING CARDIOVASCULAR DISORDERS BIAL - Portela & Ca., S.A. (PT) 2009-10-28 EP disclosed
EP-1408038-B1 Imidazole deriviatives and their use as peripherally-selective inhibitors of dopamine-beta-hydroxylase BIAL PORTELA & CA SA (PT) 2008-08-06 EP disclosed
WO-2008085074-A2 1, 3-DIHYDROIMIDAZOLES FOR TREATING CARDIOVASCULAR DISORDERS BIAL-PORTELA & CA., S.A. (PT) 2008-07-17 WO disclosed
CN-100393715-C Imidazole deriviatives and their use as peripherally-selective inhibitors of dopamine-beta-hydroxylase PORTELA & CA SA (PT) 2008-06-11 CN disclosed
EP-1914233-A1 Peripherally-selective inhibitors of dopamine-b-hydroxylase and method of their preparation Portela & Ca., S.A. (PT) 2008-04-23 EP disclosed
EP-1911757-A2 Method of preparation of 3-(1,3-Dihydroimidazole-2-thione-1-yl)-chromanes and thiochromanes as dopamine-beta-hydroxylase inhibitors Portela & Ca., S.A. (PT) 2008-04-16 EP disclosed
EP-1908759-A2 3,4-dihydro-3-amino-2H-1-benzopyrane and -benzothiopyrane derivatives as dopamine-beta-hydroxylase Inhibitors and methods of their preparation Portela & Ca., S.A. (PT) 2008-04-09 EP disclosed
EP-1908760-A1 Chromane and thiochromane-3-yl-1,3-dihydroimidazoles as inhibitors of dopamine-beta-hydroxylase and methods of their preparation Portela & Ca., S.A. (PT) 2008-04-09 EP disclosed
US-7259271-B2 Peripherally-selective inhibitors of dopamine-β-hydroxylase and method of their preparation PORTELA & C.A., S.A. (PT) 2007-08-21 US disclosed
US-20070015730-A1 Peripherally-Selective Inhibitors of Dopamine-ß-Hydroxylase And Method Of Their Preparation PORTELA & C.A., S.A. (PT) 2007-01-18 US disclosed
US-7125904-B2 Peripherally-selective inhibitors of dopamine-β-hydroxylase and method of their preparation PORTELA & C.A., S.A. (PT) 2006-10-24 US disclosed
CN-1726211-A Imidazole deriviatives and their use as peripherally-selective inhibitors of dopamine-beta-hydroxylase PORTELA & CA SA (PT) 2006-01-25 CN disclosed
US-20040142996-A1 Peripherally-selective inhibitors of dopamine-beta-hydroxylase and method of their preparation PORTELA & C.A., S.A. (PT) 2004-07-22 US disclosed
WO-2004033447-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS PERIPHERALLY-SELECTIVE INHIBITORS OF DOPAMINE-BETA-HYDROXYLASE PORTELA & C.A., S.A. (PT) 2004-04-22 WO disclosed
EP-1408038-A2 Imidazole deriviatives and their use as peripherally-selective inhibitors of dopamine-beta-hydroxylase Portela & Ca., S.A. (PT) 2004-04-14 EP 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-20040142996-A1 Peripherally-selective inhibitors of dopamine-beta-hydroxylase and method of their preparation DBH, ADRB1, ADRB3 MEN1 3669/4885GAA 2321/4885KMT2A 2388/4885
US-20070015730-A1 Peripherally-Selective Inhibitors of Dopamine-ß-Hydroxylase And Method Of Their Preparation DBH, PAH, TH MEN1 3745/4885GAA 1946/4885KMT2A 744/4885
US-20100286219-A1 1, 3-Dihydroimidazoles for Treating Cardiovascular Disorders HTR1F, HTR1D, ADRB3 MEN1 453/4885GAA 3491/4885KMT2A 2956/4885

“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.