SCHEMBL23217353

SCHEMBL23217353

COc1ccc(Cl)c(Cl)c1C1CCN(C(=O)[C@H]2COC(C)(C)N2C(=O)O)C(C(O)O)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
ADAM17 P78536 2/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
DRD2 P14416 1/20 0.31
BACE1 P56817 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
SCHEMBL29845081 0.89 BRD4 (0.38) HTR2AHTR2CHTR2BADAM17ADAMTS5
SCHEMBL23217015 0.87 HTR2A (0.36) HTR2AHTR2CHTR2BADAM17ADAMTS5
SCHEMBL23217128 0.87 HTR2A (0.34) HTR2AHTR2CHTR2BADAM17ADAMTS5
SCHEMBL23227396 0.77 BRD4 (0.38) HTR2AHTR2CHTR2B
SCHEMBL23227397 0.77 BRD4 (0.38) HTR2AHTR2CHTR2BDRD2
SCHEMBL23217322 0.74 HTR2C (0.41) HTR2AHTR2CHTR2BDRD2
SCHEMBL23217560 0.73 HTR2A (0.42) HTR2AHTR2CHTR2BDRD2
SCHEMBL23217767 0.69 HTR2A (0.43) HTR2AHTR2CHTR2BDRD2
SCHEMBL23217507 0.69 HTR2A (0.43) HTR2AHTR2CHTR2BDRD2
SCHEMBL29845074 0.68 HTR2A (0.43) HTR2AHTR2CHTR2BDRD2

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 3 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
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.