SCHEMBL23216871

SCHEMBL23216871

OCC1(c2cc(Cl)c(Cl)cc2O)CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.52
SLC6A4 P31645 14/20 0.52
SLC6A3 Q01959 6/20 0.38
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 1/20 0.32
KDM1A O60341 1/20 0.32
TACR1 P25103 1/20 0.31
FTO Q9C0B1 1/20 0.31

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
SCHEMBL24945821 0.78 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL23216537 0.77 DRD2 (0.46) SLC6A2SLC6A4SLC6A3HPGDTSHR
SCHEMBL29768482 0.77 DRD2 (0.46) SLC6A2SLC6A4SLC6A3HPGDTSHR
SCHEMBL23216263 0.76 FTO (0.39) SLC6A2SLC6A4SLC6A3HPGDTSHR
SCHEMBL3982753 0.73 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3DRD2TACR1
SCHEMBL29768379 0.72 OPRM1 (0.33) SLC6A2SLC6A4SLC6A3HPGDTSHR
SCHEMBL23216631 0.72 OPRM1 (0.33) SLC6A2SLC6A4SLC6A3HPGDTSHR
SCHEMBL14314489 0.69 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL8820689 0.68 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3DRD2TACR1
SCHEMBL188283 0.67 SLC6A4 (0.60) SLC6A2SLC6A4SLC6A3DRD2TACR1

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-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
EP-4041407-A1 ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
CN-114746151-A Aryl heterocyclic compounds as Kv1.3 potassium Shaker channel blockers D·E·萧尔研究有限责任公司 2022-07-12 CN 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 SLC6A2 990/4885SLC6A4 1195/4885SLC6A3 429/4885

“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.