SCHEMBL23216045

SCHEMBL23216045

COc1cc(Cl)c(Cl)cc1C(NC(=O)C(F)(F)F)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.44
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 6/20 0.43
HTR4 Q13639 3/20 0.39
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL29745583 1.00 AKT1 (0.44) AKT1SLC6A2SLC6A4SLC6A3HTR4
SCHEMBL23214819 0.88 HTR4 (0.39) SLC6A2SLC6A4SLC6A3HTR4
SCHEMBL29745505 0.88 HTR4 (0.39) SLC6A2SLC6A4SLC6A3HTR4
SCHEMBL29745487 0.85 AKT1 (0.39) AKT1SLC6A2SLC6A4SLC6A3NCOA1
SCHEMBL23215391 0.85 AKT1 (0.39) AKT1SLC6A2SLC6A4SLC6A3NCOA1
SCHEMBL23216206 0.83 AKT1 (0.35) AKT1SLC6A2SLC6A4SLC6A3
SCHEMBL29745356 0.83 AKT1 (0.35) AKT1SLC6A2SLC6A4SLC6A3
SCHEMBL23216203 0.83 AKT1 (0.35) AKT1SLC6A2SLC6A4SLC6A3
SCHEMBL23215104 0.81 STS (0.41) HTT
SCHEMBL29745593 0.81 STS (0.41) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
WO-2021071806-A1 ARYLMETHYLENE 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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 AKT1 3593/4885SLC6A2 1553/4885SLC6A4 1866/4885

“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.