SCHEMBL29745331

SCHEMBL29745331

COc1ccc(Cl)c(Cl)c1C(O)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.44
SLC6A4 P31645 19/20 0.44
SLC6A3 Q01959 19/20 0.44
KCNH2 Q12809 1/20 0.40
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL23216186 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Trifluoroacetic Acid SCHEMBL23215983 0.89 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL23230963 0.78 PDE4B (0.38) HTR2AHTR2CHTR2B
SCHEMBL23216868 0.77 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL29745423 0.76 HTR2C (0.41) SLC6A2SLC6A4SLC6A3KCNH2HTR2A
SCHEMBL23215968 0.76 HTR2C (0.41) SLC6A2SLC6A4SLC6A3KCNH2HTR2A
SCHEMBL23216739 0.74 EED (0.48)
SCHEMBL23216345 0.72 HTR2C (0.50) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL29768364 0.72 HTR2C (0.50) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL11361173 0.69 HTR2C (0.43) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C

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-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

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.