SCHEMBL23215940

SCHEMBL23215940

N[C@@H](c1cc(Cl)c(Cl)cc1OC(=O)C(F)(F)F)C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.39
MGLL Q99685 4/20 0.34
RORC P51449 1/20 0.33
KMT2A Q03164 3/20 0.30
MEN1 O00255 2/20 0.30
LMNA P02545 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
SCHEMBL23216075 0.92 MGLL (0.36) TACR3MGLLKMT2AMEN1LMNA
SCHEMBL23215330 0.90 MGLL (0.35) MGLLKMT2AMEN1LMNACNR1
SCHEMBL23216325 0.87 CCR4 (0.35) MGLLKMT2AMEN1LMNA
SCHEMBL23215237 0.87 CCR4 (0.35) MGLLKMT2AMEN1LMNA
SCHEMBL23215675 0.87 MGLL (0.35) MGLLKMT2AMEN1LMNACNR1
SCHEMBL23215038 0.86 MGLL (0.38) MGLL
SCHEMBL23216060 0.85
Trifluoroacetic Acid SCHEMBL23215942 0.85 TACR3 (0.36) TACR3MGLLRORCCNR1
Trifluoroacetic Acid SCHEMBL23215939 0.85 TACR3 (0.36) TACR3MGLLRORCCNR1
SCHEMBL23230791 0.83 TACR3 (0.37) TACR3MGLLRORCKMT2ACNR1

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 TACR3 184/4885MGLL 3399/4885RORC 2637/4885

“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.