SCHEMBL30456434

SCHEMBL30456434

CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.59
PDE4A P27815 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
RORC P51449 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TACR1 P25103 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
STS P08842 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL23060498 1.00 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL23060617 1.00 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL23060467 1.00 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL7917974 0.90 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3012633 0.90 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3012031 0.90 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL14934668 0.90 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL14920416 0.90 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL18586188 0.90 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL14920417 0.90 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 376/4885PDE4A 276/4885PDE4C 324/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 PDE4B 340/4885PDE4A 256/4885PDE4C 299/4885

“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.