SCHEMBL23217276

SCHEMBL23217276

COCC(=O)N(CC[C@@H]1C[C@H](c2c(OC)ccc(Cl)c2Cl)CN1C(=O)O)CC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
DRD2 P14416 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL23227175 0.89 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL23217313 0.83 HTR2A (0.41) HTR2AHTR2CHTR2BDRD2
SCHEMBL29967017 0.83 HTR2A (0.41) HTR2AHTR2CHTR2BDRD2
SCHEMBL23217292 0.80 HTR2A (0.38) HTR2AHTR2CHTR2BDRD2ALDH1A1
SCHEMBL23217391 0.79 HTR2A (0.34) HTR2AHTR2CHTR2BDRD2SMN1; SMN2
SCHEMBL23217435 0.78 HTR2C (0.45) HTR2AHTR2CHTR2BDRD2
SCHEMBL23217451 0.78 HTR2A (0.40) HTR2AHTR2CHTR2BDRD2
SCHEMBL23217075 0.77 HTR2A (0.47) HTR2AHTR2CHTR2BDRD2ALDH1A1
SCHEMBL23217482 0.75 HTR2A (0.38) HTR2AHTR2CHTR2BDRD2SMN1; SMN2
SCHEMBL23217775 0.75 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.