SCHEMBL2794680

SCHEMBL2794680

CC(C)(C)OC(=O)N(CCC=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
AKT1 P31749 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
REN P00797 1/20 0.40

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
SCHEMBL5736687 0.92 HDAC3 (0.49) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL7983451 0.91 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL25047615 0.90 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL30941082 0.89 ALOX5 (0.50) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL25047455 0.88 MEN1 (0.43) HDAC3HDAC1HDAC2NCOR2CTSS
SCHEMBL25047628 0.86 SSTR4 (0.42) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL2722481 0.86 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL25047584 0.85 HDAC1 (0.43) HDAC3HDAC1HDAC2NCOR2CTSS
SCHEMBL25047687 0.85 MC4R (0.44) HDAC3HDAC1HDAC2NCOR2CTSB
SCHEMBL1797681 0.84 HDAC1 (0.50) HDAC3HDAC1HDAC2NCOR2CTSL

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 37 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
WO-2021053158-A1 NOVEL HISTONE METHYLTRANSFERASE INHIBITORS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-03-25 WO 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-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
EP-1341781-B1 ANTIMICROBIAL QUINOLONES PROCTER & GAMBLE (US) 2005-09-14 EP disclosed
US-20040029882-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE CO. 2004-02-12 US disclosed
US-6645981-B2 For therapy of microbial infection THE PROCTER & GAMBLE COMPANY 2003-11-11 US disclosed
EP-1341781-A1 ANTIMICROBIAL QUINOLONES THE PROCTER & GAMBLE COMPANY (US) 2003-09-10 EP disclosed
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2003-01-09 US disclosed
WO-2002048138-A1 ANTIMICROBIAL QUINOLONES THE PROCTER & GAMBLE COMPANY (US) 2002-06-20 WO disclosed
US-6214833-B1 MADE BY ACYLATION ZAMBON GROUP S.P.A. (IT) 2001-04-10 US disclosed
EP-0970075-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.p.A. (IT) 2000-01-12 EP disclosed
WO-1998043972-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.P.A. (IT) 1998-10-08 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 (12 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 HDAC3 451/4885HDAC1 295/4885HDAC2 743/4885
US-20190308966-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 HDAC3 451/4885HDAC1 295/4885HDAC2 743/4885
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 HDAC3 451/4885HDAC1 295/4885HDAC2 743/4885
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 HDAC3 451/4885HDAC1 295/4885HDAC2 743/4885
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 HDAC3 451/4885HDAC1 295/4885HDAC2 743/4885
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 HDAC3 451/4885HDAC1 295/4885HDAC2 743/4885
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 HDAC3 451/4885HDAC1 295/4885HDAC2 743/4885
US-10081626-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 HDAC3 451/4885HDAC1 295/4885HDAC2 743/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 HDAC3 451/4885HDAC1 295/4885HDAC2 743/4885
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 HDAC3 2572/4885HDAC1 2681/4885HDAC2 3322/4885
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 HDAC3 207/4885HDAC1 217/4885HDAC2 269/4885
US-20040029882-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 HDAC3 2572/4885HDAC1 2681/4885HDAC2 3322/4885

“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.