SCHEMBL1845889

SCHEMBL1845889

COC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 2/20 0.49
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 3/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
EPHX1 P07099 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
IDO1 P14902 1/20 0.39
HTT P42858 1/20 0.38
KCNA5 P22460 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 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
SCHEMBL29386133 1.00 MEN1 (0.54) MEN1GAAKMT2ATDP1CA12
SCHEMBL1845891 1.00 MEN1 (0.54) MEN1GAAKMT2ATDP1CA12
SCHEMBL24224318 1.00 MEN1 (0.54) MEN1GAAKMT2ATDP1CA12
SCHEMBL4670568 0.91 MEN1 (0.56) MEN1GAAKMT2ATDP1CA12
SCHEMBL5079004 0.90 MEN1 (0.64) MEN1GAAKMT2ATDP1CA12
SCHEMBL27515193 0.89 MEN1 (0.58) MEN1GAAKMT2ATDP1CA12
SCHEMBL12755039 0.89 MEN1 (0.58) MEN1GAAKMT2ATDP1CA12
SCHEMBL24796278 0.86 MEN1 (0.48) MEN1GAAKMT2ATDP1CA12
SCHEMBL2636479 0.84 MEN1 (0.65) MEN1GAAKMT2ATDP1CA12
SCHEMBL15198752 0.84 MEN1 (0.56) MEN1GAAKMT2ATDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12146004-B2 Polymyxin compounds and uses thereof SPERO THERAPEUTICS, INC. (US) 2024-11-19 US disclosed
US-20230340026-A1 COMPOUNDS NEW PHARMA LICENCE HOLDINGS LTD (MT) 2023-10-26 US disclosed
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-20150291579-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-15 US disclosed
US-8927573-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-01-06 US disclosed
US-20140288112-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-09-25 US disclosed
US-8664242-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2014-03-04 US disclosed
US-20130158060-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-06-20 US disclosed
US-8263618-B2 8-azabicyclo[3.2.1]octane compounds as MU opioid receptor antagonists THERAVANCE, INC. (US) 2012-09-11 US disclosed
EP-2001876-B1 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2011-05-18 EP 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-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 (15 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 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885
US-20230340026-A1 COMPOUNDS BCAT1, BCAT2, CCNT1 MEN1 1609/4885GAA 3480/4885KMT2A 3019/4885
US-20150291579-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885
US-12146004-B2 Polymyxin compounds and uses thereof BCAT1, BCAT2, PNISR MEN1 2808/4885GAA 4383/4885KMT2A 2701/4885
US-20130158060-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885
US-10081626-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885
US-20100035921-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885
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 MEN1 4840/4885GAA 3576/4885KMT2A 487/4885
US-20140288112-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MEN1 4214/4885GAA 4089/4885KMT2A 917/4885

“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.