SCHEMBL754742

SCHEMBL754742

CC1(C)OCC(CCCN)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL368919 0.88 CA2 (0.49) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL368918 0.88 CA2 (0.49) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL2159214 0.88 CA2 (0.49) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL13130046 0.87 CA2 (0.47) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL7154999 0.83 CA2 (0.50) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL18817541 0.83 CA2 (0.50) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL13637952 0.82 ALDH1A1 (0.43) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL10065754 0.82 ALDH1A1 (0.43) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL1243925 0.80 CA2 (0.42) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL12059431 0.80 ALDH1A1 (0.52) CA2ALDH1A1NPSR1CHRM2CHRM4

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 16 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
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-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-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 CA2 3544/4885ALDH1A1 492/4885NPSR1 257/4885
US-20070015730-A1 Peripherally-Selective Inhibitors of Dopamine-ß-Hydroxylase And Method Of Their Preparation DBH, PAH, TH CA2 3296/4885ALDH1A1 802/4885NPSR1 230/4885
US-20100286219-A1 1, 3-Dihydroimidazoles for Treating Cardiovascular Disorders HTR1F, HTR1D, ADRB3 CA2 1422/4885ALDH1A1 638/4885NPSR1 122/4885

“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.