SCHEMBL23214918

SCHEMBL23214918

COc1cc(C=O)c(Cl)cc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
THRB P10828 1/20 0.46
PDE4B Q07343 3/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
STS P08842 3/20 0.43
HTT P42858 2/20 0.42
ADAM17 P78536 1/20 0.42
ALDH1A1 P00352 4/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
MAPK1 P28482 1/20 0.42
GPR35 Q9HC97 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CNR1 P21554 1/20 0.41
LMNA P02545 1/20 0.41
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40

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
SCHEMBL29768460 1.00 MAPT (0.46) MAPTKDM4ETHRBPDE4BMEN1
SCHEMBL19702762 0.89 MAPT (0.51) MAPTKDM4ETHRBPDE4BMEN1
SCHEMBL23214885 0.87 MAPT (0.47) MAPTKDM4ETHRBMEN1KMT2A
SCHEMBL23216278 0.85 ADAM17 (0.48) MAPTKDM4ETHRBPDE4BMEN1
SCHEMBL29768430 0.85 ADAM17 (0.48) MAPTKDM4ETHRBPDE4BMEN1
SCHEMBL19703152 0.84 ADAM17 (0.52) MAPTKDM4ETHRBPDE4BMEN1
SCHEMBL19703147 0.83 ADAM17 (0.53) MAPTKDM4ETHRBPDE4BMEN1
SCHEMBL19702086 0.82 ADAM17 (0.52) MAPTKDM4ETHRBPDE4BMEN1
SCHEMBL31342082 0.80 MAPT (0.49) MAPTKDM4ETHRBPDE4BMEN1
SCHEMBL25577370 0.80 PDE4B (0.52) MAPTKDM4ETHRBPDE4BMEN1

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
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 US disclosed
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 US disclosed
EP-4041407-A1 ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP 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
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 MAPT 3383/4885KDM4E 458/4885THRB 1781/4885

“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.