SCHEMBL20475191

SCHEMBL20475191

COC(=O)C1CN(C(=O)O)CC1c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.51
SLC6A2 P23975 5/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 5/20 0.49
PDE4A P27815 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL20475203 0.89 ALDH1A1 (0.48) PDE4BSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL23924125 0.89 ALDH1A1 (0.48) PDE4BSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL20475209 0.87 PDE4A (0.51) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL14920696 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL20475190 0.86 SLC6A4 (0.49) PDE4BSLC6A2SLC6A4SLC6A3
SCHEMBL23060476 0.83 PDE4B (0.73) PDE4BSLC6A2SLC6A4SLC6A3PDE4A
SCHEMBL3378101 0.83 PDE4B (0.48) PDE4BSLC6A2SLC6A4SLC6A3PDE4A
SCHEMBL18586940 0.80 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL23951589 0.78 RORC (0.56) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1
SCHEMBL28932944 0.78 RORC (0.56) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3582779-B1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2024-04-17 EP 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
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
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
WO-2018152293-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. (US) 2018-08-23 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 (3 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-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 PDE4B 376/4885SLC6A2 1333/4885SLC6A4 764/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PDE4B 340/4885SLC6A2 1541/4885SLC6A4 776/4885
US-20210061790-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PDE4B 340/4885SLC6A2 1541/4885SLC6A4 776/4885

“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.