SCHEMBL754531

SCHEMBL754531

CC(C)(C)[Si](C)(C)OCC(=O)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
ACHE P22303 1/20 0.45
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44

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
SCHEMBL4119825 0.81 MAPT (0.55) KMT2AMEN1
SCHEMBL17493276 0.80 MAPT (0.50) KMT2AMEN1LMNAALDH1A1TDP1
SCHEMBL17743343 0.79 TDP1 (0.49) KMT2AMEN1TDP1
SCHEMBL12903756 0.78 HPGD (0.51) KMT2ALMNAALDH1A1TDP1MAPK1
SCHEMBL11754615 0.78 ALDH1A1 (0.62) KMT2AHSD17B10MEN1LMNAALDH1A1
SCHEMBL752241 0.77 MMP2 (0.43) KMT2AHSD17B10MEN1ALDH1A1TDP1
SCHEMBL13447825 0.74 ALDH1A1 (0.55) KMT2AHSD17B10MEN1LMNAALDH1A1
SCHEMBL18419336 0.74 DUT (0.47) KMT2ALMNAALDH1A1TDP1MAPK1
SCHEMBL31054770 0.74 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL21743929 0.73 BTN3A1 (0.41) HSD17B10ALDH1A1MAPK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1914233-A1 Peripherally-selective inhibitors of dopamine-b-hydroxylase and method of their preparation Portela & Ca., S.A. (PT) 2008-04-23 EP claimed
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 claimed
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-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
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
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
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
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 KMT2A 2388/4885HSD17B10 57/4885MEN1 3669/4885
US-20070015730-A1 Peripherally-Selective Inhibitors of Dopamine-ß-Hydroxylase And Method Of Their Preparation DBH, PAH, TH KMT2A 744/4885HSD17B10 535/4885MEN1 3745/4885
US-20100286219-A1 1, 3-Dihydroimidazoles for Treating Cardiovascular Disorders HTR1F, HTR1D, ADRB3 KMT2A 2956/4885HSD17B10 820/4885MEN1 453/4885

“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.