SCHEMBL752427

SCHEMBL752427

CC(C)(C)OC(=O)NCCCC(=O)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL753090 0.91 TDP1 (0.44) TDP1MEN1KMT2AGAAMAOA
SCHEMBL754764 0.82 TDP1 (0.39) TDP1MEN1KMT2AGAAMAOA
SCHEMBL3056923 0.82 TDP1 (0.54) TDP1MEN1KMT2AGAAMAOA
SCHEMBL13451785 0.81 TDP1 (0.57) TDP1MEN1KMT2AGAAMAOA
SCHEMBL14680159 0.79 TDP1 (0.59) TDP1MEN1KMT2AGAAMAOA
SCHEMBL29549866 0.79 TDP1 (0.59) TDP1MEN1KMT2AGAAMAOA
SCHEMBL1143295 0.79 TDP1 (0.49) TDP1MEN1KMT2AGAAMAOA
SCHEMBL31024460 0.77 MAOA (0.54) TDP1MEN1KMT2AGAAMAOA
SCHEMBL31024468 0.77 MAOA (0.50) TDP1MEN1KMT2AGAAMAOA
SCHEMBL26947866 0.77 TDP1 (0.59) TDP1MEN1KMT2AGAAMAOA

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 7 patents. 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
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TDP1 914/4885MEN1 3669/4885KMT2A 2388/4885

“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.