SCHEMBL757279

SCHEMBL757279

CC(C)(C)OC(=O)N(CCC(O)CO)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
CTSS P25774 3/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
BACE1 P56817 3/20 0.43
AKT1 P31749 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CTSK P43235 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SSTR4 P31391 1/20 0.39

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
SCHEMBL28466070 0.85 HDAC1 (0.51) HDAC1HDAC3HDAC2NCOR2CTSS
SCHEMBL2112935 0.84 HDAC3 (0.54) HDAC1HDAC3HDAC2NCOR2CTSS
SCHEMBL754623 0.83 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2CTSS
SCHEMBL16678597 0.82 KMT2A (0.45) L3MBTL1MEN1KMT2ARECQLLMNA
SCHEMBL16678636 0.82 KMT2A (0.45) L3MBTL1MEN1KMT2ARECQLLMNA
SCHEMBL16678595 0.82 KMT2A (0.45) L3MBTL1MEN1KMT2ARECQLLMNA
SCHEMBL1848202 0.81 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2CTSS
SCHEMBL17595115 0.81 BACE1 (0.49) HDAC1HDAC3HDAC2NCOR2CTSS
SCHEMBL9823156 0.81 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2CTSS
SCHEMBL3328177 0.81 HDAC3 (0.54) HDAC1HDAC3HDAC2NCOR2CTSS

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-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
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
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 HDAC1 1502/4885HDAC3 1569/4885HDAC2 2315/4885
US-20070015730-A1 Peripherally-Selective Inhibitors of Dopamine-ß-Hydroxylase And Method Of Their Preparation DBH, PAH, TH HDAC1 1414/4885HDAC3 1359/4885HDAC2 1892/4885
US-20100286219-A1 1, 3-Dihydroimidazoles for Treating Cardiovascular Disorders HTR1F, HTR1D, ADRB3 HDAC1 1160/4885HDAC3 375/4885HDAC2 1199/4885

“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.