SCHEMBL754325

SCHEMBL754325

CN(CCC(O)CO)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
PDK2 Q15119 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
THRB P10828 1/20 0.31
GBA1 P04062 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4818286 0.90 CTSK (0.39) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4818294 0.90 CTSK (0.39) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4818625 0.90 CTSK (0.39) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15866143 0.86 CTSK (0.40) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6327607 0.85 GPR88 (0.36) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15268288 0.83 CHRNB2 (0.38) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19646813 0.83 CHRNB2 (0.38) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1069362 0.82 HDAC6 (0.33) CTSKCA14HDAC6HDAC1HDAC2
SCHEMBL3711368 0.82 CTSK (0.38) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4818893 0.81 CTSK (0.36) CTSKPDK2HDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682139-B2 Lipids and compositions for the delivery of therapeutics ARBUTUS BIOPHARMA CORPORATION (CA) 2017-06-20 US disclosed
US-20150265708-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2015-09-24 US disclosed
US-8999351-B2 Lipids and compositions for the delivery of therapeutics TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2015-04-07 US disclosed
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
US-20110311583-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2011-12-22 US 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-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 (5 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 CTSK 2589/4885CHRNB2 223/4885CHRNB4 242/4885
US-20150265708-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS SGMS2, SGMS1, PHOSPHO1 CTSK 2578/4885CHRNB2 2511/4885CHRNB4 2168/4885
US-20070015730-A1 Peripherally-Selective Inhibitors of Dopamine-ß-Hydroxylase And Method Of Their Preparation DBH, PAH, TH CTSK 3682/4885CHRNB2 436/4885CHRNB4 512/4885
US-20110311583-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS SGMS1, SGMS2, PHOSPHO1 CTSK 2525/4885CHRNB2 2387/4885CHRNB4 2184/4885
US-20100286219-A1 1, 3-Dihydroimidazoles for Treating Cardiovascular Disorders HTR1F, HTR1D, ADRB3 CTSK 3438/4885CHRNB2 637/4885CHRNB4 863/4885

“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.