SCHEMBL23216332

SCHEMBL23216332

CCN(CC)C(=O)Oc1ccc(Br)c(Cl)c1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK4 Q16654 1/20 0.43
▸ NAMPT P43490 1/20 0.41
▸ GPR119 Q8TDV5 3/20 0.40
▸ GRM1 Q13255 9/20 0.40
▸ GRM5 P41594 8/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DGAT2 Q96PD7 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ ENPP2 Q13822 1/20 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
SCHEMBL29886185 0.90 PDK4 (0.44) PDK4NAMPTGPR119GRM1GRM5
SCHEMBL23216829 0.90 PDK4 (0.44) PDK4NAMPTGPR119GRM1GRM5
SCHEMBL29886388 0.89 PDK4 (0.43) PDK4NAMPTGPR119GRM1GRM5
SCHEMBL23216282 0.89 PDK4 (0.43) PDK4NAMPTGPR119GRM1GRM5
SCHEMBL23216560 0.87 PDK4 (0.44) PDK4NAMPTGPR119GRM1GRM5
SCHEMBL29885812 0.87 PDK4 (0.44) PDK4NAMPTGPR119GRM1GRM5
SCHEMBL23214926 0.80 PDK4 (0.51) PDK4NAMPTGPR119GRM1GRM5
SCHEMBL23216598 0.77 LMNA (0.42) NAMPTGPR119LMNAL3MBTL1JAK1
SCHEMBL23214989 0.74 GRM1 (0.52) PDK4NAMPTGPR119GRM1GRM5
SCHEMBL29768403 0.74 GRM1 (0.52) PDK4NAMPTGPR119GRM1GRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 — — US disclosed
EP-4041407-A1 ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 — — EP disclosed
WO-2021071802-A1 ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 — — WO disclosed
WO-2021071802-A1 ARYL 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-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNA3, KCNH2, KCNJ2 PDK4 824/4885NAMPT 2849/4885GPR119 1600/4885

“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.

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