SCHEMBL23214520

SCHEMBL23214520

COc1ccc(Cl)c(Cl)c1[C@@H]1CC(=O)N(C(=O)O)[C@H](C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.41
HTR2C P28335 6/20 0.41
HTR2B P41595 6/20 0.41
PDE4A P27815 5/20 0.36
PDE4B Q07343 5/20 0.36
PDE4C Q08493 5/20 0.36
PDE4D Q08499 5/20 0.36
FFAR2 O15552 2/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
DRD2 P14416 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL23217480 0.82 HTR2C (0.44) HTR2AHTR2CHTR2BFFAR2DRD2
SCHEMBL23217172 0.82 HTR2C (0.44) HTR2AHTR2CHTR2BFFAR2DRD2
SCHEMBL23217560 0.80 HTR2A (0.42) HTR2AHTR2CHTR2BFFAR2DRD2
SCHEMBL29663831 0.79 HTR2A (0.40) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL25034419 0.79 HTR2A (0.40) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL23236539 0.79 HTR2A (0.40) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL23217253 0.76 HTR2A (0.42) HTR2AHTR2CHTR2BPDE4BFFAR2
SCHEMBL23217489 0.76 HTR2A (0.42) HTR2AHTR2CHTR2BPDE4BFFAR2
SCHEMBL29844882 0.76 HTR2A (0.42) HTR2AHTR2CHTR2BPDE4BFFAR2
SCHEMBL29845173 0.76 HTR2A (0.42) HTR2AHTR2CHTR2BPDE4BFFAR2

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-20230040182-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-02-09 US disclosed
EP-4041408-A1 ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
CN-114728177-A Aryl heterobicyclic compounds as Kv1.3 potassium Shaker channel blockers D·E·萧尔研究有限责任公司 2022-07-08 CN disclosed
WO-2021071803-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-20230040182-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.