SCHEMBL1846780

SCHEMBL1846780

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1cccc(N)c1)C2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ OPRM1 P35372 7/20 0.42
▸ OPRD1 P41143 7/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ GPR119 Q8TDV5 4/20 0.40
▸ PREP P48147 2/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ ABCB1 P08183 1/20 0.38

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
SCHEMBL1846783 1.00 CHRM2 (0.51) CHRM2CHRM1CHRM3OPRM1OPRD1
SCHEMBL30404823 1.00 CHRM2 (0.51) CHRM2CHRM1CHRM3OPRM1OPRD1
SCHEMBL1848077 0.86 CHRM2 (0.52) CHRM2CHRM1CHRM3OPRM1OPRD1
SCHEMBL1848078 0.86 CHRM2 (0.52) CHRM2CHRM1CHRM3OPRM1OPRD1
SCHEMBL1847652 0.86 OPRM1 (0.58) CHRM2CHRM1CHRM3OPRM1OPRD1
SCHEMBL22471554 0.85 CHRM2 (0.56) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL15378924 0.85 CHRM2 (0.56) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL16358521 0.84 CHRM2 (0.59) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3028543 0.84 CHRM2 (0.59) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL1424660 0.82 CHRM2 (0.48) CHRM2CHRM1CHRM3GPR119JAK2

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 21 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-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-20170349578-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-07 — — US disclosed
US-9663509-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-05-30 — — US disclosed
US-20160176863-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-06-23 — — US disclosed
US-20150291579-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-15 — — US disclosed
US-8927573-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-01-06 — — US disclosed
US-20140288112-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-09-25 — — US disclosed
US-8664242-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2014-03-04 — — US disclosed
US-20130158060-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-06-20 — — US disclosed
US-8263618-B2 8-azabicyclo[3.2.1]octane compounds as MU opioid receptor antagonists THERAVANCE, INC. (US) 2012-09-11 — — 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-20100035921-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-02-11 — — US 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
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 (14 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-20170349578-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
US-20160176863-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
US-20190308966-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
US-20150291579-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
US-20130158060-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
US-10081626-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
US-20100035921-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885
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 CHRM2 18/4885CHRM1 34/4885CHRM3 15/4885
US-20140288112-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM1 39/4885CHRM3 61/4885

“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.

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