SCHEMBL5733587

SCHEMBL5733587

Cc1c(Br)cccc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
SCN9A Q15858 4/20 0.35
EPAS1 Q99814 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KCNK3 O14649 4/20 0.34
KCNK9 Q9NPC2 4/20 0.34
S1PR1 P21453 1/20 0.34
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
CACNG2 Q9Y698 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MPL P40238 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
JAK2 O60674 1/20 0.32
BTK Q06187 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL16707610 0.85 HSD11B1 (0.41) HSD11B1SCN9AKDM4EKCNK3KCNK9
SCHEMBL6559354 0.81 ALDH1A1 (0.40) EPAS1KDM4EALDH1A1L3MBTL1JAK2
SCHEMBL13160083 0.79 MAPT (0.46) HSD11B1SCN9AKDM4ES1PR1ALDH1A1
SCHEMBL29471353 0.79 HTR7 (0.38) HSD11B1SCN9AKCNK3KCNK9ALDH1A1
SCHEMBL615592 0.79 HTR7 (0.38) HSD11B1SCN9AKCNK3KCNK9ALDH1A1
SCHEMBL24886371 0.78 KCNN4 (0.39) HSD11B1SCN9AKDM4EKCNK3KCNK9
SCHEMBL16184453 0.78 MPL (0.44) HSD11B1SCN9AKDM4EKCNK3KCNK9
SCHEMBL28015639 0.77 HTR7 (0.37) HSD11B1SCN9AKCNK3KCNK9ALDH1A1
SCHEMBL10874519 0.76 MRGPRX4 (0.38) SCN9AEPAS1KDM4EGRIA1CACNG8
SCHEMBL4657366 0.76 MPL (0.40) SCN9AKDM4EKCNK3KCNK9MPL

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115362151-B Arylpiperidines as monoacylglycerol lipase modulators 詹森药业有限公司 2025-02-11 CN disclosed
US-20240092781-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-03-21 US disclosed
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-17 US disclosed
EP-4126840-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 EP disclosed
CN-115362151-A Aryl piperidines as monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-18 CN disclosed
US-20220363679-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-11-17 US disclosed
WO-2021191384-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO disclosed
CN-100432056-C Tetrahydroisoquinolinylacetamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 CN disclosed
US-20060178515-A1 Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2006-08-10 US disclosed
CN-1764647-A Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-04-26 CN disclosed
EP-1611104-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-01-04 EP disclosed
WO-2004085403-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-10-07 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 (4 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-20240092781-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP HSD11B1 803/4885SCN9A 453/4885EPAS1 1330/4885
US-20060178515-A1 Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists HCRTR2, HCRTR1, OXTR HSD11B1 647/4885SCN9A 1587/4885EPAS1 1114/4885
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators MGLL, LPL, PNLIP HSD11B1 803/4885SCN9A 453/4885EPAS1 1330/4885
US-20220363679-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP HSD11B1 803/4885SCN9A 453/4885EPAS1 1330/4885

“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.