SCHEMBL1846372

SCHEMBL1846372

OCCNCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
SCN8A Q9UQD0 1/20 0.50
CDK1 P06493 1/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
MTOR P42345 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
PHGDH O43175 1/20 0.44
DNM1 Q05193 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FFAR1 O14842 1/20 0.43
NAMPT P43490 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
GSR P00390 1/20 0.42

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
SCHEMBL4414015 0.95 SMN1; SMN2 (0.58) SMN1; SMN2SCN8ACDK1PDCD1CD274
SCHEMBL1436108 0.83 PTPN1 (0.54) SCN8AMTORALDH1A1DNM1CYP3A4
SCHEMBL1625535 0.83 SMN1; SMN2 (0.64) SMN1; SMN2PDCD1CD274ALDH1A1TSHR
SCHEMBL4655812 0.83 TAAR1 (0.50) SMN1; SMN2CDK1TAAR1
SCHEMBL23545652 0.82 SCN8A (0.51) SCN8AMTORALDH1A1PHGDHDNM1
SCHEMBL8350245 0.81 TAAR1 (0.57) SCN8AMTORALDH1A1PHGDHTAAR1
SCHEMBL3240028 0.81 GSR (0.54) SMN1; SMN2PDCD1CD274GSR
SCHEMBL4260305 0.81 RHOC (0.53) SMN1; SMN2SCN8AMTORGSR
SCHEMBL8446318 0.81 SCN8A (0.54) SMN1; SMN2SCN8AMTORALDH1A1PHGDH
Hydrochloric Acid SCHEMBL8446020 0.79 SCN8A (0.52) SMN1; SMN2SCN8AMTORALDH1A1PHGDH

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 33 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
WO-2019044940-A1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2019-03-07 WO 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
EP-2837624-B1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2018-06-27 EP disclosed
US-8263618-B2 8-azabicyclo[3.2.1]octane compounds as MU opioid receptor antagonists THERAVANCE, INC. (US) 2012-09-11 US disclosed
US-20110237566-A1 Therapeutic Macrolide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-29 US disclosed
US-20110237566-A1 Therapeutic Macrolide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-29 US disclosed
EP-2001876-B1 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2011-05-18 EP disclosed
WO-2010062265-A1 THERAPEUTIC MACROLIDE COMPOUNDS AND THEIR USE MERLION PHARMACEUTICALS PTE LTD (SG) 2010-06-03 WO 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
EP-2001876-A2 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2008-12-17 EP 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
WO-2007103187-A2 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2007-09-13 WO 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 (11 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 SMN1; SMN2 1535/4885SCN8A 40/4885CDK1 1911/4885
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SMN1; SMN2 1535/4885SCN8A 40/4885CDK1 1911/4885
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 SMN1; SMN2 1535/4885SCN8A 40/4885CDK1 1911/4885
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SMN1; SMN2 1535/4885SCN8A 40/4885CDK1 1911/4885
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 SMN1; SMN2 1535/4885SCN8A 40/4885CDK1 1911/4885
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SMN1; SMN2 1535/4885SCN8A 40/4885CDK1 1911/4885
US-10081626-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 SMN1; SMN2 1535/4885SCN8A 40/4885CDK1 1911/4885
US-20100035921-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SMN1; SMN2 1535/4885SCN8A 40/4885CDK1 1911/4885
US-20110237566-A1 Therapeutic Macrolide Compounds and Their Use MALT1, HDAC6, BCL6 SMN1; SMN2 2606/4885SCN8A 4744/4885CDK1 587/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 SMN1; SMN2 1535/4885SCN8A 40/4885CDK1 1911/4885
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 SMN1; SMN2 2765/4885SCN8A 183/4885CDK1 3256/4885

“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.