SCHEMBL1773689

SCHEMBL1773689

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.51
▸ DRD1 P21728 2/20 0.51
▸ DRD4 P21917 2/20 0.51
▸ DRD5 P21918 2/20 0.51
▸ DRD3 P35462 2/20 0.51
▸ OPRM1 P35372 13/20 0.41
▸ OPRD1 P41143 13/20 0.41
▸ ELOVL6 Q9H5J4 1/20 0.37

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
SCHEMBL1773690 1.00 DRD2 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1424878 0.86 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1424879 0.86 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL12314080 0.84 DRD2 (0.59) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10295472 0.84 DRD2 (0.59) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1764638 0.79 OPRM1 (0.54) OPRM1OPRD1
SCHEMBL1764639 0.79 OPRM1 (0.54) OPRM1OPRD1
SCHEMBL10180323 0.77 DRD2 (0.65) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10180668 0.76 DRD2 (0.63) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1764998 0.75 DRD2 (0.45) DRD2DRD3OPRM1OPRD1

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 47 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-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-20100152199-A1 HETEROARYLALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-06-17 — — US disclosed
EP-2195313-A1 HETEROARYLALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2010-06-16 — — EP disclosed
US-7691878-B2 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2010-04-06 — — 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
WO-2009029253-A1 HETEROARYLALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-03-05 — — WO 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-20090062334-A1 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. 2009-03-05 — — US 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 (16 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 DRD2 121/4885DRD1 164/4885DRD4 380/4885
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD1 164/4885DRD4 380/4885
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD1 164/4885DRD4 380/4885
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD1 164/4885DRD4 380/4885
US-20180200246-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND OPRM1, SIGMAR1, OPRD1 DRD2 587/4885DRD1 705/4885DRD4 1033/4885
US-10426766-B2 Crystalline forms of an 8-azabicyclo[3.2.1]octane compound OPRM1, SIGMAR1, OPRD1 DRD2 587/4885DRD1 705/4885DRD4 1033/4885
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD1 164/4885DRD4 380/4885
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD1 164/4885DRD4 380/4885
US-20080207676-A1 Crystalline forms of an 8-Azabicyclo(3.2.1)octane compound OPRM1, SIGMAR1, OPRD1 DRD2 597/4885DRD1 728/4885DRD4 1070/4885
US-10081626-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD1 164/4885DRD4 380/4885
US-20100152199-A1 HETEROARYLALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 DRD2 117/4885DRD1 190/4885DRD4 378/4885
US-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRL1, OPRK1 DRD2 154/4885DRD1 229/4885DRD4 408/4885
US-20100035921-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD1 164/4885DRD4 380/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD1 164/4885DRD4 380/4885
US-20090062334-A1 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 DRD2 117/4885DRD1 190/4885DRD4 378/4885
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 DRD2 315/4885DRD1 375/4885DRD4 988/4885

“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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