SCHEMBL23215922

SCHEMBL23215922

COc1cc(Cl)c(Cl)cc1C(Br)C1CCN(C(C)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.43
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
HTR4 Q13639 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
EZH2 Q15910 1/20 0.37
RAB9A P51151 1/20 0.37
PDE4B Q07343 1/20 0.37
ALK Q9UM73 3/20 0.37
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36

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
SCHEMBL29745261 1.00 QDPR (0.43) QDPRMEN1POLBKMT2ATP53
SCHEMBL23214904 0.86 QDPR (0.47) QDPRMEN1POLBKMT2ATP53
SCHEMBL29745531 0.86 QDPR (0.47) QDPRMEN1POLBKMT2ATP53
SCHEMBL29745373 0.85 QDPR (0.46) QDPRMEN1POLBKMT2ATP53
SCHEMBL23215973 0.85 QDPR (0.46) QDPRMEN1POLBKMT2ATP53
SCHEMBL23214979 0.85 PDE4B (0.45) MEN1KMT2ADPP4EZH2RAB9A
SCHEMBL29745344 0.85 PDE4B (0.45) MEN1KMT2ADPP4EZH2RAB9A
SCHEMBL23215130 0.83 QDPR (0.42) QDPRDPP4DPP7EZH2ALDH1A1
SCHEMBL29745632 0.83 QDPR (0.42) QDPRDPP4DPP7EZH2ALDH1A1
SCHEMBL23214995 0.83 QDPR (0.42) QDPRMEN1POLBKMT2ATP53

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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC 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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 QDPR 479/4885MEN1 1151/4885POLB 4256/4885

“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.