SCHEMBL23239779

SCHEMBL23239779

NCC(=O)N1CCC(c2c(O)cc(Cl)c(Cl)c2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
SPR P35270 2/20 0.36
GRM5 P41594 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ADAM17 P78536 2/20 0.34
ADAMTS5 Q9UNA0 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
QDPR P09417 1/20 0.33

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
SCHEMBL30219456 0.88 GRM5 (0.38) SPRGRM5ADAM17ADAMTS5EGLN1
SCHEMBL23239749 0.88 GRM5 (0.38) SPRGRM5ADAM17ADAMTS5EGLN1
SCHEMBL23215157 0.85 HTR1A (0.39) SPRHPGDQDPR
SCHEMBL29768414 0.85 HTR1A (0.39) SPRHPGDQDPR
SCHEMBL23216818 0.74 ALDH1A1 (0.38) SPRKDM4EALDH1A1
SCHEMBL29886143 0.74 TLR9 (0.39) TLR9TLR8TLR7
SCHEMBL23214954 0.74 TLR9 (0.39) TLR9TLR8TLR7
SCHEMBL29745223 0.72 CPN1 (0.44) CPN1CPB2KDM4EALDH1A1GLA
SCHEMBL23230418 0.72 CPN1 (0.44) CPN1CPB2KDM4EALDH1A1GLA
SCHEMBL14489707 0.70 GRM5 (0.56) GRM5

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
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 US 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 CPN1 4873/4885CPB2 4843/4885SPR 2494/4885

“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.