SCHEMBL5459344

SCHEMBL5459344

CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.56
HRH3 Q9Y5N1 1/20 0.50
CHEK2 O96017 1/20 0.50
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
ALDH1A1 P00352 1/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
ALK Q9UM73 1/20 0.46
STS P08842 1/20 0.46
CHRNA3 P32297 1/20 0.46

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
SCHEMBL30427283 1.00 GPR119 (0.56) GPR119HRH3CHEK2NPBWR1MCHR1
SCHEMBL30272608 0.91 GPR119 (0.56) GPR119HRH3CHEK2NPBWR1MCHR1
SCHEMBL20570922 0.91 GPR119 (0.56) GPR119HRH3CHEK2NPBWR1MCHR1
SCHEMBL3282383 0.89 GPR119 (0.59) GPR119HRH3CHEK2NPBWR1MCHR1
SCHEMBL848331 0.87 GPR119 (0.57) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL3579129 0.86 GPR119 (0.67) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL3091210 0.86 GPR119 (0.64) GPR119HRH3CHEK2NPBWR1MCHR1
SCHEMBL214556 0.86 GPR119 (0.56) GPR119HRH3CHEK2NPBWR1MCHR1
SCHEMBL30426929 0.86 GPR119 (0.67) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL5462103 0.85 GPR119 (0.58) GPR119HRH3CHEK2NPBWR1MCHR1

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
WO-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed
CN-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed
US-20230286973-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2023-09-14 US disclosed
CN-116745278-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2023-09-12 CN disclosed
CN-116194455-A Protein secretion inhibitor 科智生命科学公司 2023-05-30 CN disclosed
US-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2007-01-25 US 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 (2 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-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 GPR119 164/4885HRH3 339/4885CHEK2 4317/4885
US-20230286973-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G GPR119 2261/4885HRH3 4555/4885CHEK2 3780/4885

“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.