SCHEMBL23217432

SCHEMBL23217432

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.40
HTR2A P28223 8/20 0.40
HTR2B P41595 7/20 0.40
GRIN2B Q13224 1/20 0.32
DRD2 P14416 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CLCN2 P51788 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
SCHEMBL23217433 1.00 HTR2C (0.40) HTR2CHTR2AHTR2BGRIN2BDRD2
SCHEMBL23217149 0.87 HTR2C (0.45) HTR2CHTR2AHTR2BDRD2EGFR
SCHEMBL23217279 0.87 HTR2A (0.39) HTR2CHTR2AHTR2BGRIN2BDRD2
SCHEMBL23217282 0.87 HTR2A (0.39) HTR2CHTR2AHTR2BGRIN2BDRD2
SCHEMBL28950070 0.86 HTR2A (0.39) HTR2CHTR2AHTR2B
SCHEMBL25034722 0.86 HTR2A (0.39) HTR2CHTR2AHTR2B
SCHEMBL23217190 0.86 HTR2C (0.41) HTR2CHTR2AHTR2BDRD2EGFR
SCHEMBL23217318 0.85 HTR2C (0.41) HTR2CHTR2AHTR2BDRD2L3MBTL1
SCHEMBL23217480 0.80 HTR2C (0.44) HTR2CHTR2AHTR2BDRD2
SCHEMBL23217172 0.80 HTR2C (0.44) HTR2CHTR2AHTR2BDRD2

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.