SCHEMBL23216818

SCHEMBL23216818

O=C(O)N1CC[C@H](C(=O)N2CCC(c3c(O)cc(Cl)c(Cl)c3Cl)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SPR P35270 2/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.36
NOTUM Q6P988 3/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CNR1 P21554 2/20 0.34

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
SCHEMBL29768471 0.83 HPGD (0.49) KMT2AMEN1KDM4E
SCHEMBL23239263 0.83 HPGD (0.49) KMT2AMEN1KDM4E
SCHEMBL29886143 0.81 TLR9 (0.39) HTTNPSR1CNR1
SCHEMBL23214954 0.81 TLR9 (0.39) HTTNPSR1CNR1
SCHEMBL23215157 0.78 HTR1A (0.39) SPRTSHR
SCHEMBL29768414 0.78 HTR1A (0.39) SPRTSHR
SCHEMBL23216614 0.78 MGLL (0.40) ALDH1A1HTTNPSR1KMT2APOLB
SCHEMBL30219456 0.76 GRM5 (0.38) ALDH1A1SPRHTTKDM4ECNR1
SCHEMBL23239749 0.76 GRM5 (0.38) ALDH1A1SPRHTTKDM4ECNR1
SCHEMBL23239779 0.74 CPN1 (0.36) ALDH1A1SPRKDM4E

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-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

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 ALDH1A1 1910/4885SPR 2494/4885HTT 386/4885

“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.