SCHEMBL1775545

SCHEMBL1775545

CCOC(CN(C)C1CCCCC1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PIK3CD O00329 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADH1A P07327 3/20 0.33
ADH1C P00326 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ABCB11 O95342 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
AR P10275 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
PDE4A P27815 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL3558295 0.74
SCHEMBL4335957 0.73 HRH4 (0.34) KMT2AMEN1HRH4HRH3ADH1A
SCHEMBL10451583 0.73 PIK3CD (0.63) KMT2AMEN1HRH4HRH3PIK3CD
SCHEMBL11775946 0.72 ADH1A (0.35) KMT2AMEN1HRH4HRH3ADH1A
SCHEMBL14098310 0.72 PIK3CD (0.42) KMT2AMEN1HRH4HRH3PIK3CD
SCHEMBL13468000 0.71 HRH4 (0.41) KMT2AMEN1HRH4HRH3PIK3CD
SCHEMBL19227260 0.71 KMT2A (0.54) KMT2AMEN1HRH4HRH3PIK3CD
SCHEMBL19227269 0.71 KMT2A (0.54) KMT2AMEN1HRH4HRH3PIK3CD
SCHEMBL19227247 0.71 KMT2A (0.54) KMT2AMEN1HRH4HRH3PIK3CD
SCHEMBL18124377 0.71 KMT2A (0.50) KMT2AMEN1HRH4HRH3PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-01-10 US disclosed
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-01-28 US disclosed
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-08-18 US disclosed
US-20190308966-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-10 US disclosed
US-10426766-B2 Crystalline forms of an 8-azabicyclo[3.2.1]octane compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-01 US disclosed
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-13 US disclosed
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-04-25 US disclosed
US-10081626-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-09-25 US disclosed
US-20180200246-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-19 US disclosed
US-9949963-B2 Crystalline forms of an 8-azabicyclo[3.2.1]octane compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-24 US disclosed
US-8247555-B2 Crystalline forms of an 8-azabicyclo[3.2.1]octane compound THERAVANCE, INC. (US) 2012-08-21 US disclosed
US-20110184008-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND THERAVANCE, INC. (US) 2011-07-28 US disclosed
EP-2001876-B1 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2011-05-18 EP disclosed
US-7943772-B2 Crystalline forms of an 8-azabicyclo(3.2.1)octane compound THERAVANCE, INC. (US) 2011-05-17 US disclosed
US-20100035921-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-02-11 US disclosed
EP-2132204-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND Theravance, Inc. (US) 2009-12-16 EP disclosed
US-7622508-B2 3-Endo-(8-{2-[cyclohexylmethyl-(2-hydroxyacetyl)-amino]-ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide; for treating condition associated with mu opioid receptor activity, e.g. a disorder of reduced motility of gastrointestinal tract such as opioid-induced bowel dysfunction and post-operative ileus THERAVANCE, INC. (US) 2009-11-24 US disclosed
WO-2008106159-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND THERAVANCE, INC. (US) 2008-09-04 WO disclosed
US-20080207676-A1 Crystalline forms of an 8-Azabicyclo(3.2.1)octane compound THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-28 US disclosed
US-20070219278-A1 3-Endo-(8-{2-[cyclohexylmethyl-(2-hydroxyacetyl)-amino]-ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide; for treating condition associated with mu opioid receptor activity, e.g. a disorder of reduced motility of gastrointestinal tract such as opioid-induced bowel dysfunction and post-operative ileus THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-20 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 (13 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-20190308966-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 KMT2A 917/4885MEN1 4214/4885HRH4 528/4885
US-20110184008-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND OPRM1, SIGMAR1, OPRD1 KMT2A 1657/4885MEN1 4755/4885HRH4 887/4885
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 KMT2A 917/4885MEN1 4214/4885HRH4 528/4885
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 KMT2A 917/4885MEN1 4214/4885HRH4 528/4885
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 KMT2A 917/4885MEN1 4214/4885HRH4 528/4885
US-20180200246-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND OPRM1, SIGMAR1, OPRD1 KMT2A 1657/4885MEN1 4755/4885HRH4 887/4885
US-10426766-B2 Crystalline forms of an 8-azabicyclo[3.2.1]octane compound OPRM1, SIGMAR1, OPRD1 KMT2A 1657/4885MEN1 4755/4885HRH4 887/4885
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 KMT2A 917/4885MEN1 4214/4885HRH4 528/4885
US-20080207676-A1 Crystalline forms of an 8-Azabicyclo(3.2.1)octane compound OPRM1, SIGMAR1, OPRD1 KMT2A 1661/4885MEN1 4749/4885HRH4 865/4885
US-10081626-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 KMT2A 917/4885MEN1 4214/4885HRH4 528/4885
US-20100035921-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 KMT2A 917/4885MEN1 4214/4885HRH4 528/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 KMT2A 917/4885MEN1 4214/4885HRH4 528/4885
US-20070219278-A1 3-Endo-(8-{2-[cyclohexylmethyl-(2-hydroxyacetyl)-amino]-ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide; for treating condition associated with mu opioid receptor activity, e.g. a disorder of reduced motility of gastrointestinal tract such as opioid-induced bowel dysfunction and post-operative ileus OPRM1, OPRD1, OGFR KMT2A 487/4885MEN1 4840/4885HRH4 68/4885

“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.