SCHEMBL23215973

SCHEMBL23215973

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.46
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
PDE4B Q07343 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HTR4 Q13639 1/20 0.38
SLC9A1 P19634 1/20 0.37
EZH2 Q15910 1/20 0.37
RAB9A P51151 1/20 0.37
ALK Q9UM73 2/20 0.37

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
SCHEMBL29745373 1.00 QDPR (0.46) QDPRDPP4DPP7PDE4BMEN1
SCHEMBL29745531 0.86 QDPR (0.47) QDPRDPP4DPP7PDE4BMEN1
SCHEMBL23214904 0.86 QDPR (0.47) QDPRDPP4DPP7PDE4BMEN1
SCHEMBL23215922 0.85 QDPR (0.43) QDPRDPP4DPP7PDE4BMEN1
SCHEMBL29745261 0.85 QDPR (0.43) QDPRDPP4DPP7PDE4BMEN1
SCHEMBL23216646 0.85 DPP4 (0.51) DPP4PDE4BMEN1KMT2AMAPT
SCHEMBL29745548 0.85 DPP4 (0.51) DPP4PDE4BMEN1KMT2AMAPT
SCHEMBL29745351 0.84 QDPR (0.41) QDPRDPP4DPP7MEN1POLB
SCHEMBL23216550 0.84 QDPR (0.41) QDPRDPP4DPP7MEN1POLB
SCHEMBL23216286 0.84 DPP4 (0.43) QDPRDPP4DPP7MAPTEZH2

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 5 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
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
EP-4041229-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP 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 479/4885DPP4 2667/4885DPP7 1535/4885

“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.