SCHEMBL23217485

SCHEMBL23217485

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.38
HTR2A P28223 5/20 0.38
HTR2B P41595 5/20 0.38
DRD2 P14416 2/20 0.34
MTNR1B P49286 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
PDE4B Q07343 1/20 0.31
PKM P14618 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
SCHEMBL23217410 0.92 HTR2C (0.39) HTR2CHTR2AHTR2BDRD2MTNR1B
SCHEMBL25034433 0.87 HTR2A (0.37) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL29844912 0.87 HTR2A (0.37) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL23217560 0.87 HTR2A (0.42) HTR2CHTR2AHTR2BDRD2MEN1
SCHEMBL23217322 0.86 HTR2C (0.41) HTR2CHTR2AHTR2BDRD2MTNR1B
SCHEMBL23227413 0.81 HTR2A (0.38) HTR2CHTR2AHTR2BALDH1A1PDE4B
SCHEMBL23239234 0.79 PDE4B (0.40) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL29768446 0.79 PDE4B (0.40) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL23217767 0.78 HTR2A (0.43) HTR2CHTR2AHTR2BDRD2MEN1
SCHEMBL23217507 0.78 HTR2A (0.43) HTR2CHTR2AHTR2BDRD2MEN1

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 HTR2C 1162/4885HTR2A 1799/4885HTR2B 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.