SCHEMBL29450192

SCHEMBL29450192

CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC=C1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.35
STS P08842 1/20 0.33
ADORA1 P30542 1/20 0.33
SLC2A1 P11166 1/20 0.32
NR1H2 P55055 1/20 0.32
HTR6 P50406 1/20 0.32
PDK4 Q16654 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL19176058 1.00 RORC (0.35) RORCSTSADORA1SLC2A1NR1H2
SCHEMBL16422844 0.88 STS (0.35) RORCSTSNR1H2HTR6PDK4
SCHEMBL19168628 0.84 RORC (0.38) RORCSTSNR1H2HTR6PDK4
SCHEMBL2256948 0.83 NR1H2 (0.40) RORCSTSNR1H2HTR6PDK4
SCHEMBL23538445 0.81 RORC (0.37) RORCSTSNR1H2HTR6PDK4
SCHEMBL5809590 0.78 RORC (0.37) RORCSTSNR1H2HTR6PDK4
SCHEMBL16434814 0.76 RORC (0.33) RORCSTSHTR6PDK4
SCHEMBL25322322 0.76 NR1H2 (0.35) RORCSTSNR1H2HTR6PDK4
SCHEMBL21111699 0.75 RORC (0.34) RORCSTSNR1H2HTR6PDK4
SCHEMBL21111698 0.75 RORC (0.34) RORCSTSNR1H2HTR6PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
CN-114773318-A Delta opioid receptor modulating compounds containing six-membered azaheterocycles, methods of use and preparation thereof 特维娜有限公司 2022-07-22 CN disclosed
CN-108025002-B Delta opioid receptor modulating compounds containing six membered azaheterocycles, methods of use and preparation thereof 特维娜有限公司 2022-05-13 CN disclosed
EP-3344248-B1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2022-03-23 EP 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-11465980-B2 6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 RORC 139/4885STS 4599/4885ADORA1 192/4885
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 RORC 139/4885STS 4599/4885ADORA1 192/4885

“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.