SCHEMBL24946333

SCHEMBL24946333

CC(C)(C)OC(=O)N1C[C@@H](C(N)=O)[C@H](c2cc(Cl)c(Cl)cc2O)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.49
MC4R P32245 3/20 0.38
DPP4 P27487 1/20 0.38
TACR1 P25103 2/20 0.37
RORC P51449 1/20 0.37
ESR2 Q92731 1/20 0.36
CNR1 P21554 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
SCHEMBL23216936 1.00 PDE4B (0.49) PDE4BMC4RDPP4TACR1RORC
SCHEMBL29768419 1.00 PDE4B (0.49) PDE4BMC4RDPP4TACR1RORC
SCHEMBL23216432 0.89 PDE4B (0.48) PDE4BMC4RDPP4TACR1RORC
SCHEMBL29768413 0.89 PDE4B (0.48) PDE4BMC4RDPP4TACR1RORC
SCHEMBL24946334 0.89 PDE4B (0.48) PDE4BMC4RDPP4TACR1RORC
SCHEMBL29885822 0.87 PDE4B (0.57) PDE4BTACR1RORC
SCHEMBL23216555 0.87 PDE4B (0.57) PDE4BTACR1RORC
SCHEMBL23239759 0.87 PDE4B (0.57) PDE4BTACR1RORC
SCHEMBL13365094 0.81 PDE4B (0.62) PDE4BMC4RTACR1RORC
SCHEMBL8228421 0.77 PDE4B (0.60) PDE4BMC4RTACR1RORC

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 1 patent. 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

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 997/4885MC4R 2120/4885DPP4 2308/4885

“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.