SCHEMBL23215622

SCHEMBL23215622

CC1CC(C(=O)c2cc(Cl)c(Cl)cc2O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.41
ALDH1A1 P00352 1/20 0.38
GRM5 P41594 1/20 0.37
OPRK1 P41145 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
HSD17B10 Q99714 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL23215890 0.82 STS (0.54) STSGPR119NPC1RAB9APTPN2
SCHEMBL23216250 0.81 HTR2C (0.36) STSALDH1A1OPRK1GPR119
SCHEMBL23230470 0.81 HTR2C (0.36) STSALDH1A1OPRK1GPR119
SCHEMBL29745557 0.77 HPGD (0.51) STSPTPN2PTPN1PTPN6
SCHEMBL29782386 0.77 HPGD (0.51) STSPTPN2PTPN1PTPN6
SCHEMBL23230844 0.77 HPGD (0.51) STSPTPN2PTPN1PTPN6
SCHEMBL6774754 0.76 HSD17B10 (0.44) STSGPR119HSD17B10PTPN2PTPN1
SCHEMBL23216716 0.74 STS (0.43) STSALDH1A1GPR119NPC1RAB9A
SCHEMBL23694162 0.74 HSD17B10 (0.44) GPR119NPC1RAB9AHSD17B10PTPN2
SCHEMBL23694159 0.74 HSD17B10 (0.44) GPR119NPC1RAB9AHSD17B10PTPN2

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 4 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
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 STS 706/4885ALDH1A1 1871/4885GRM5 1558/4885

“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.