SCHEMBL23217452

SCHEMBL23217452

N[C@@H](c1cc(Cl)c(Cl)cc1OC(=O)C(F)(F)F)C1CCN(C(=O)N2CCNCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 6/20 0.37
PKM P14618 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
DPP4 P27487 4/20 0.32
DPP7 Q9UHL4 3/20 0.32

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
SCHEMBL23216570 0.87 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL23214860 0.87 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL23215612 0.87 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL23215346 0.86 DPP4 (0.34) SLC6A3DPP4DPP7
SCHEMBL23215237 0.85 CCR4 (0.35) SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL23216325 0.85 CCR4 (0.35) SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL23215675 0.85 MGLL (0.35) SLC6A2SLC6A4SLC6A3DPP4DPP7
SCHEMBL23216624 0.84 DPP4 (0.38) DPP4DPP7
SCHEMBL23216009 0.84 SMYD3 (0.39) DPP4DPP7
SCHEMBL23216090 0.84 CPN1 (0.36) DPP4DPP7

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 SLC6A2 1553/4885SLC6A4 1866/4885SLC6A3 667/4885

“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.