SCHEMBL23216075

SCHEMBL23216075

N[C@@H](c1cc(Cl)c(Cl)cc1OC(=O)C(F)(F)F)C1CCN(C(=O)[C@H]2CNC(=O)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.36
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
SCN8A Q9UQD0 6/20 0.33
TACR3 P29371 1/20 0.32
DPP4 P27487 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
MC4R P32245 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL23215940 0.92 TACR3 (0.39) MGLLTACR3KMT2AMEN1LMNA
SCHEMBL23215330 0.91 MGLL (0.35) MGLLDPP4KMT2AMEN1LMNA
SCHEMBL23215675 0.88 MGLL (0.35) MGLLDPP4KMT2AMEN1LMNA
SCHEMBL23215038 0.87 MGLL (0.38) MGLL
SCHEMBL23215237 0.86 CCR4 (0.35) MGLLTLR9TLR8TLR7DPP4
SCHEMBL23216325 0.86 CCR4 (0.35) MGLLTLR9TLR8TLR7DPP4
SCHEMBL23215550 0.85 MGLL (0.32) MGLL
Trifluoroacetic Acid SCHEMBL23216076 0.84 DPP4 (0.35) MGLLTLR9TLR8TLR7PIK3CD
Trifluoroacetic Acid SCHEMBL23216073 0.84 DPP4 (0.35) MGLLTLR9TLR8TLR7PIK3CD
SCHEMBL23230756 0.83 TLR9 (0.36) MGLLTLR9TLR8TLR7SCN8A

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-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

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 MGLL 3399/4885TLR9 4801/4885TLR8 4263/4885

“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.