SCHEMBL23227197

SCHEMBL23227197

COC(=O)C(C)CNC[C@@H]1C[C@H](c2c(OC)ccc(Cl)c2Cl)CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
PDE4B Q07343 4/20 0.34
USP30 Q70CQ3 1/20 0.33
ABCB1 P08183 1/20 0.33
DRD2 P14416 2/20 0.33
ERBB2 P04626 1/20 0.32
EPHA2 P29317 1/20 0.32
EPHB4 P54760 1/20 0.32
ECE1 P42892 1/20 0.31
HTRA1 Q92743 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ATM Q13315 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
SCHEMBL23217201 0.88 HTR2A (0.37) HTR2AHTR2CHTR2BDRD2ECE1
SCHEMBL23217562 0.88 HTR2A (0.37) HTR2AHTR2CHTR2BDRD2ECE1
SCHEMBL25034567 0.88 HTR2A (0.38) HTR2AHTR2CHTR2BPDE4BABCB1
SCHEMBL23227266 0.86 HTR2A (0.39) HTR2AHTR2CHTR2BPDE4BUSP30
SCHEMBL23227374 0.85 HTR2A (0.38) HTR2AHTR2CHTR2BPDE4BUSP30
SCHEMBL23217498 0.83 HTR2A (0.36) HTR2AHTR2CHTR2BPDE4BABCB1
SCHEMBL29844421 0.83 HTR2A (0.36) HTR2AHTR2CHTR2BPDE4BABCB1
SCHEMBL29845110 0.83 HTR2A (0.36) HTR2AHTR2CHTR2BPDE4BABCB1
SCHEMBL23217269 0.83 HTR2A (0.36) HTR2AHTR2CHTR2BPDE4BABCB1
SCHEMBL23217572 0.82 HTR2A (0.42) HTR2AHTR2CHTR2BPDE4BUSP30

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-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-02-16 US disclosed
US-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-02-16 US disclosed
EP-4041405-A1 ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
WO-2021071832-A1 ARYL HETEROBICYCLIC 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-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNB1, KCNJ2, KCNB2 HTR2A 1799/4885HTR2C 1162/4885HTR2B 464/4885

“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.