SCHEMBL1335668

SCHEMBL1335668

COc1cccc(C2CC3CCC(C2)N3)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.63
SLC6A4 P31645 5/20 0.63
SLC6A3 Q01959 5/20 0.63
HTR2C P28335 4/20 0.62
DRD2 P14416 2/20 0.50
ADRA1A P35348 1/20 0.48
HTR2A P28223 2/20 0.48
HTR2B P41595 2/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47

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
SCHEMBL1335667 1.00 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3HTR2CDRD2
Hydrochloric Acid SCHEMBL1774650 0.98 HTR2C (0.63) SLC6A2SLC6A4SLC6A3HTR2CDRD2
Hydrochloric Acid SCHEMBL1774649 0.98 HTR2C (0.63) SLC6A2SLC6A4SLC6A3HTR2CDRD2
SCHEMBL1515134 0.81 HTR2C (0.77) HTR2CDRD2ADRA1AHTR2AHTR2B
SCHEMBL30997824 0.81 HTR2C (0.77) HTR2CDRD2ADRA1AHTR2AHTR2B
SCHEMBL1335696 0.80 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CDRD2
SCHEMBL1335693 0.80 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CDRD2
SCHEMBL30041804 0.78 HTR2C (0.58) HTR2CDRD2ADRA1AHTR2AHTR2B
SCHEMBL1515075 0.78 HTR2C (0.72) HTR2CDRD2ADRA1AHTR2AHTR2B
Methyl Alcohol SCHEMBL8097139 0.78 HTR2C (0.72) HTR2CDRD2ADRA1AHTR2AHTR2B

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 86 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-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-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-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-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-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-20090062334-A1 Heteroarylalkyl-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-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
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
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 SLC6A2 778/4885SLC6A4 1035/4885SLC6A3 372/4885
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SLC6A2 778/4885SLC6A4 1035/4885SLC6A3 372/4885
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 SLC6A2 778/4885SLC6A4 1035/4885SLC6A3 372/4885
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SLC6A2 778/4885SLC6A4 1035/4885SLC6A3 372/4885
US-20090062332-A1 Disubstituted alkyl-8-azabicyclo[3.2.1] octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 SLC6A2 361/4885SLC6A4 443/4885SLC6A3 247/4885
US-10426766-B2 Crystalline forms of an 8-azabicyclo[3.2.1]octane compound OPRM1, SIGMAR1, OPRD1 SLC6A2 457/4885SLC6A4 289/4885SLC6A3 76/4885
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 SLC6A2 778/4885SLC6A4 1035/4885SLC6A3 372/4885
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SLC6A2 778/4885SLC6A4 1035/4885SLC6A3 372/4885
US-20080207676-A1 Crystalline forms of an 8-Azabicyclo(3.2.1)octane compound OPRM1, SIGMAR1, OPRD1 SLC6A2 453/4885SLC6A4 289/4885SLC6A3 79/4885
US-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRL1, OPRK1 SLC6A2 628/4885SLC6A4 732/4885SLC6A3 446/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 SLC6A2 778/4885SLC6A4 1035/4885SLC6A3 372/4885
US-20090062334-A1 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 SLC6A2 491/4885SLC6A4 701/4885SLC6A3 317/4885
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 SLC6A2 1119/4885SLC6A4 1008/4885SLC6A3 460/4885

“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.