SCHEMBL23216263

SCHEMBL23216263

CC1(c2cc(Cl)c(Cl)cc2O)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.39
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A2 P23975 9/20 0.35
SLC6A4 P31645 9/20 0.35
PTPN11 Q06124 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A3 Q01959 1/20 0.32
OPRM1 P35372 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL23216537 0.80 DRD2 (0.46) FTOHPGDTSHRHSD17B10SLC6A2
SCHEMBL29768482 0.80 DRD2 (0.46) FTOHPGDTSHRHSD17B10SLC6A2
SCHEMBL18272148 0.77 FTO (0.39) FTOHPGDTSHRHSD17B10SLC6A4
SCHEMBL23216871 0.76 SLC6A2 (0.52) FTOHPGDTSHRHSD17B10SLC6A2
SCHEMBL23216405 0.76 SIGMAR1 (0.41) FTOSLC6A2SLC6A4DRD2HTR2A
SCHEMBL29768369 0.76 SIGMAR1 (0.41) FTOSLC6A2SLC6A4DRD2HTR2A
SCHEMBL23216631 0.75 OPRM1 (0.33) FTOHPGDTSHRHSD17B10SLC6A2
SCHEMBL29768379 0.75 OPRM1 (0.33) FTOHPGDTSHRHSD17B10SLC6A2
SCHEMBL655089 0.70 GRIN1 (0.42) SLC6A2SLC6A4DRD2HTR2AHTR2C
SCHEMBL23333094 0.70 OPRM1 (0.38) SLC6A2SLC6A4HTR2AHTR2CSLC6A3

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 FTO 2139/4885HPGD 2935/4885TSHR 1706/4885

“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.