SCHEMBL754764

SCHEMBL754764

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GFER P55789 2/20 0.35
TSHR P16473 2/20 0.35
EPHX2 P34913 1/20 0.34
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL18689368 0.84 NPSR1 (0.37) TDP1NPSR1MAOAMAOBMEN1
SCHEMBL23695346 0.84 NPSR1 (0.37) TDP1NPSR1MAOAMAOBMEN1
SCHEMBL753090 0.84 TDP1 (0.44) TDP1NPSR1MAOAMAOBMEN1
SCHEMBL752427 0.82 TDP1 (0.49) TDP1NPSR1MAOAMAOBMEN1
SCHEMBL22091354 0.82 NPSR1 (0.39) TDP1NPSR1MAOAMAOBMEN1
SCHEMBL15527157 0.81 BACE1 (0.31)
SCHEMBL16766734 0.81 APLNR (0.35) TDP1NPSR1MAOAMAOBMEN1
SCHEMBL16766733 0.81 APLNR (0.35) TDP1NPSR1MAOAMAOBMEN1
SCHEMBL5059160 0.80 TDP1 (0.37) TDP1NPSR1MAOAMAOBMEN1
SCHEMBL5059159 0.80 TDP1 (0.37) TDP1NPSR1MAOAMAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 US disclosed
US-12162871-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-12-10 US disclosed
US-12110279-B2 Triazolones, tetrazolones, and imidazolones, or their salts, and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2024-10-08 US disclosed
US-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-11-21 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 US disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 US 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
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 (9 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-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same VAPB, HDLBP, VAPA TDP1 145/4885NPSR1 4048/4885MAOA 2294/4885
US-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 TDP1 215/4885NPSR1 4620/4885MAOA 1689/4885
US-12110279-B2 Triazolones, tetrazolones, and imidazolones, or their salts, and pharmaceutical compositions comprising the same VAPB, VAPA, FABP1 TDP1 572/4885NPSR1 4213/4885MAOA 1622/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 TDP1 215/4885NPSR1 4620/4885MAOA 1689/4885
US-20040142996-A1 Peripherally-selective inhibitors of dopamine-beta-hydroxylase and method of their preparation DBH, ADRB1, ADRB3 TDP1 914/4885NPSR1 257/4885MAOA 105/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 TDP1 1147/4885NPSR1 4542/4885MAOA 883/4885
US-20070015730-A1 Peripherally-Selective Inhibitors of Dopamine-ß-Hydroxylase And Method Of Their Preparation DBH, PAH, TH TDP1 586/4885NPSR1 230/4885MAOA 43/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 TDP1 215/4885NPSR1 4620/4885MAOA 1689/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 TDP1 1147/4885NPSR1 4542/4885MAOA 883/4885

“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.