SCHEMBL23239759

SCHEMBL23239759

COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cc(Cl)c(Cl)cc1O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.57
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
SLC6A2 P23975 1/20 0.42
TACR1 P25103 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
USP30 Q70CQ3 1/20 0.37
RORC P51449 1/20 0.36

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
SCHEMBL29885822 1.00 PDE4B (0.57) PDE4BSLC6A4SLC6A3SLC6A2TACR1
SCHEMBL23216555 1.00 PDE4B (0.57) PDE4BSLC6A4SLC6A3SLC6A2TACR1
SCHEMBL24946334 0.88 PDE4B (0.48) PDE4BTACR1USP30RORC
SCHEMBL29768413 0.88 PDE4B (0.48) PDE4BTACR1USP30RORC
SCHEMBL23216432 0.88 PDE4B (0.48) PDE4BTACR1USP30RORC
SCHEMBL29768419 0.87 PDE4B (0.49) PDE4BTACR1RORC
SCHEMBL23216936 0.87 PDE4B (0.49) PDE4BTACR1RORC
SCHEMBL24946333 0.87 PDE4B (0.49) PDE4BTACR1RORC
SCHEMBL6310363 0.85 PDE4B (0.59) PDE4BUSP30
SCHEMBL193015 0.82 PDE4B (0.72) PDE4BSLC6A4SLC6A3SLC6A2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 US disclosed
WO-2021071802-A1 ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 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 (1 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-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNA3, KCNH2, KCNJ2 PDE4B 997/4885SLC6A4 1195/4885SLC6A3 429/4885

“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.