SCHEMBL29366131

SCHEMBL29366131

COC(=O)c1ccc(Br)c(OCC2CCN(C(C)(C)C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4B Q07343 8/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
NOTUM Q6P988 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR1D P28221 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
PDE4A P27815 3/20 0.39
PDE4C Q08493 3/20 0.39

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
SCHEMBL2802032 0.87 PDE4B (0.47) PDE4BMAPTNOTUMPDE4APDE4C
SCHEMBL23825806 0.85 RBP4 (0.41) HTR4ALDH1A1PDE4BKDM4ENPC1
SCHEMBL28630751 0.85 PKM (0.47) PDE4BKDM4EPDE4APDE4CPDE4D
SCHEMBL1871388 0.77 PDE4B (0.47) ALDH1A1PDE4BKDM4EMAPTNOTUM
SCHEMBL28033753 0.75 PDE4B (0.59) PDE4BMAPTPDE4APDE4CPDE4D
SCHEMBL4510982 0.75 PTGER4 (0.48) HTR4ALDH1A1PDE4BNPC1RAB9A
SCHEMBL30017688 0.74 PDE4B (0.51) HTR4ALDH1A1PDE4BKDM4EMAPT
SCHEMBL21473561 0.74 PDE4B (0.51) HTR4ALDH1A1PDE4BKDM4EMAPT
SCHEMBL15541722 0.74 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL7323001 0.74 PARP15 (0.46) ALDH1A1PDE4BHPGDNOTUMPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 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 (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-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 HTR4 2624/4885ALDH1A1 274/4885L3MBTL1 3034/4885

“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.