SCHEMBL1424660

SCHEMBL1424660

CC(C)(C)OC(=O)N1C2CCC1CC(c1cccc(C#N)c1)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ GPR119 Q8TDV5 5/20 0.47
▸ GRM5 P41594 2/20 0.46
▸ DRD3 P35462 6/20 0.44
▸ DRD2 P14416 5/20 0.44
▸ NOTCH1 P46531 1/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ AR P10275 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CASP1 P29466 1/20 0.41

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
SCHEMBL1424659 1.00 CHRM2 (0.48) CHRM2CHRM1CHRM3GPR119GRM5
SCHEMBL1848078 0.83 CHRM2 (0.52) CHRM2CHRM1CHRM3
SCHEMBL1848077 0.83 CHRM2 (0.52) CHRM2CHRM1CHRM3
SCHEMBL1846780 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3GPR119JAK2
SCHEMBL1846783 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3GPR119JAK2
SCHEMBL30404823 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3GPR119JAK2
SCHEMBL3028543 0.81 CHRM2 (0.59) CHRM2CHRM1CHRM3GPR119JAK2
SCHEMBL16358521 0.81 CHRM2 (0.59) CHRM2CHRM1CHRM3GPR119JAK2
SCHEMBL3163972 0.81 GPR119 (0.54) GPR119DRD3DRD2NOTCH1JAK2
SCHEMBL1764996 0.81 DRD2 (0.45) GRM5DRD3DRD2MGLLHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-06-15 — — US disclosed
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-20110124677-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-05-26 — — US disclosed
US-7947710-B2 Disubstituted alkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2011-05-24 — — US disclosed
EP-2001876-B1 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2011-05-18 — — EP disclosed
EP-2195314-B1 DISUBSTITUTED ALKYL-8-AZABICYCLO [3.2.1.]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2011-03-23 — — EP disclosed
US-7902221-B2 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2011-03-08 — — 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
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-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. 2009-03-05 — — US disclosed
US-20090062332-A1 Disubstituted alkyl-8-azabicyclo[3.2.1] octane compounds as mu opioid receptor antagonists THERAVANCE, INC 2009-03-05 — — 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-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-20090062332-A1 Disubstituted alkyl-8-azabicyclo[3.2.1] octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 CHRM2 303/4885CHRM1 219/4885CHRM3 230/4885
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-20230183232-A1 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-20110124677-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRL1, OPRK1 CHRM2 88/4885CHRM1 60/4885CHRM3 115/4885
US-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRL1, OPRK1 CHRM2 79/4885CHRM1 52/4885CHRM3 104/4885
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

“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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