SCHEMBL4499443

SCHEMBL4499443

O=C1N=Cc2ccc(O)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.46
ESR1 P03372 6/20 0.45
ESR2 Q92731 4/20 0.45
MAOA P21397 1/20 0.45
UGT1A1 P22309 1/20 0.45
MAOB P27338 1/20 0.45
TRPA1 O75762 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PBRM1 Q86U86 1/20 0.38
USP7 Q93009 1/20 0.38
USP47 Q96K76 1/20 0.38
TTR P02766 1/20 0.34
PARP1 P09874 1/20 0.34
CES2 O00748 1/20 0.34
EGFR P00533 1/20 0.34
GUSB P08236 1/20 0.34
TNF P01375 1/20 0.34

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
SCHEMBL618638 0.83 ESR2 (0.45) PTPRCESR1ESR2MAOAUGT1A1
SCHEMBL31098477 0.83 ESR2 (0.45) PTPRCESR1ESR2MAOAUGT1A1
SCHEMBL2034873 0.79 S100A4 (0.45) PTPRCTRPA1CA1CA2CA7
SCHEMBL21715527 0.77 TDP2 (0.43) PARP1
SCHEMBL2529842 0.75 NPC1 (0.41) PTPRCCA9PARP1
SCHEMBL18863326 0.75 CA1 (0.38) CA1CA2CA7CA9USP7
SCHEMBL149198 0.75 MAOA (0.42) MAOAMAOBCA1CA2CA7
SCHEMBL1772876 0.75 PPOX (0.45) USP7USP47PARP1
SCHEMBL29024953 0.75 CA12 (0.35) MAOAMAOBCA1CA2CA7
SCHEMBL30740688 0.75 TDP2 (0.46) PTPRCCA1CA2CA7CA9

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-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
CN-110446495-B Delta opioid receptor modulating compounds containing 7-membered aza heterocycles and methods of use and preparation thereof 特维娜有限公司 2023-09-05 CN disclosed
US-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2023-07-18 US disclosed
CN-116354862-A Substituted azacyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-06-29 US disclosed
EP-3582783-B1 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2023-06-07 EP disclosed
EP-4086249-A2 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME Trevena, Inc. (US) 2022-11-09 EP disclosed
US-20220348588-A1 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2022-11-03 US disclosed
US-11465980-B2 6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2022-10-11 US disclosed
US-20210061790-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC 2021-03-04 US disclosed
US-20210061812-A1 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC. 2021-03-04 US disclosed
US-20200231564-A9 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2020-07-23 US disclosed
US-20190202803-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2019-07-04 US disclosed
US-10246436-B2 6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2019-04-02 US disclosed
EP-3344248-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME Trevena, Inc. (US) 2018-07-11 EP disclosed
US-20170210725-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2017-07-27 US disclosed
WO-2017040545-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. (US) 2017-03-09 WO disclosed
US-7495111-B2 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2009-02-24 US disclosed
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2007-06-28 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-20200231564-A9 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PTPRC 1518/4885ESR1 521/4885ESR2 219/4885
US-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 PTPRC 1311/4885ESR1 579/4885ESR2 241/4885
US-20170210725-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PTPRC 1518/4885ESR1 521/4885ESR2 219/4885
US-11465980-B2 6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 PTPRC 1518/4885ESR1 521/4885ESR2 219/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 PTPRC 1484/4885ESR1 493/4885ESR2 220/4885
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists HTR1A, HTR7, HTR3A PTPRC 2806/4885ESR1 1580/4885ESR2 1354/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PTPRC 1491/4885ESR1 541/4885ESR2 232/4885
US-20210061790-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PTPRC 1491/4885ESR1 541/4885ESR2 232/4885
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PTPRC 1518/4885ESR1 521/4885ESR2 219/4885
US-20220348588-A1 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PTPRC 1484/4885ESR1 493/4885ESR2 220/4885
US-20210061812-A1 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PTPRC 1484/4885ESR1 493/4885ESR2 220/4885
US-10246436-B2 6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 PTPRC 1518/4885ESR1 521/4885ESR2 219/4885
US-20190202803-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PTPRC 1518/4885ESR1 521/4885ESR2 219/4885

“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.