SCHEMBL23215872

SCHEMBL23215872

CC(N)(c1cc(Cl)c(Cl)cc1O)C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 13/20 0.34
▸ SLC6A4 P31645 13/20 0.34
▸ SLC6A3 Q01959 12/20 0.34
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ QDPR P09417 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ HTR4 Q13639 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PDK1 Q15118 1/20 0.30

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
SCHEMBL23230762 0.83 MEN1 (0.39) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL25015590 0.83 MEN1 (0.39) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL23215742 0.83 MEN1 (0.39) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL29745384 0.76 HSP90AA1 (0.41) SLC6A3QDPR
SCHEMBL23216023 0.76 HSP90AA1 (0.41) SLC6A3QDPR
SCHEMBL8389819 0.70 HSD17B10 (0.44) MEN1LMNACYP2D6KMT2AHPGD
SCHEMBL16117670 0.66 ALDH1A1 (0.67) LMNACYP2D6HPGDTSHRHSD17B10
SCHEMBL23216721 0.65 QDPR (0.46) SLC6A2SLC6A4SLC6A3PRMT5WDR77
SCHEMBL23230306 0.64 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL23230307 0.64 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3

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 6 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
CN-114727991-A Arylmethylene heterocyclic compounds as Kv1.3 potassium SHAKER channel blockers D·E·萧尔研究有限责任公司 2022-07-08 — — CN 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 SLC6A2 1553/4885SLC6A4 1866/4885SLC6A3 667/4885

“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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