SCHEMBL23214857

SCHEMBL23214857

COc1cc(Cl)c(Cl)cc1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.50
SCN9A Q15858 2/20 0.44
HPGDS O60760 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
HTR2A P28223 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ADAM17 P78536 1/20 0.42
USP30 Q70CQ3 1/20 0.41
POLB P06746 1/20 0.41
STS P08842 1/20 0.41
KDM4E B2RXH2 1/20 0.40
THRB P10828 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
SCHEMBL29886238 1.00 PDE4B (0.50) PDE4BSCN9AHPGDSJAK2JAK1
SCHEMBL19702762 0.87 MAPT (0.51) PDE4BMEN1KMT2AMAPTALDH1A1
SCHEMBL28782624 0.83 PDE4B (0.48) PDE4BSCN9AHPGDSJAK2JAK1
SCHEMBL28782629 0.83 PDE4B (0.54) PDE4BSCN9AJAK2JAK1MEN1
SCHEMBL23348062 0.82 HTR2A (0.50) PDE4BSCN9AJAK2JAK1HTR2A
SCHEMBL23216543 0.82 PDE4B (0.46) PDE4BHTR2AMEN1KMT2AMAPT
SCHEMBL29768385 0.82 PDE4B (0.46) PDE4BHTR2AMEN1KMT2AMAPT
SCHEMBL23326155 0.80 HTR2A (0.53) PDE4BSCN9AJAK2JAK1HTR2A
SCHEMBL30801149 0.80 HTR2A (0.53) PDE4BSCN9AJAK2JAK1HTR2A
SCHEMBL19703147 0.79 ADAM17 (0.53) PDE4BMEN1KMT2AMAPTALDH1A1

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 PDE4B 997/4885SCN9A 74/4885HPGDS 3866/4885

“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.