SCHEMBL20898024

SCHEMBL20898024

O=C(O)c1ccc2nc(-c3ccc(F)cc3)oc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.74
TTR P02766 1/20 0.67
ALB P02768 1/20 0.67
MAOA P21397 1/20 0.67
CNR1 P21554 1/20 0.67
DRD1 P21728 1/20 0.67
OPRD1 P41143 1/20 0.67
PDE4D Q08499 1/20 0.67
PDE3A Q14432 1/20 0.67
MAPT P10636 4/20 0.55
HPSE Q9Y251 1/20 0.54
GPR119 Q8TDV5 1/20 0.54
FASN P49327 1/20 0.53
MGLL Q99685 1/20 0.53
NR4A2 P43354 1/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52

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
SCHEMBL16149901 0.91 HDAC6 (0.66) HDAC6TTRALBMAOACNR1
SCHEMBL441419 0.89 TTR (0.71) HDAC6TTRALBMAOACNR1
SCHEMBL1675515 0.89 MAPT (0.65) HDAC6TTRALBMAOACNR1
SCHEMBL1675290 0.87 TTR (0.68) HDAC6TTRALBMAOACNR1
SCHEMBL121966 0.87 TTR (0.72) HDAC6TTRALBMAOACNR1
SCHEMBL29784233 0.87 TTR (0.72) HDAC6TTRALBMAOACNR1
SCHEMBL6840227 0.86 TTR (0.67) HDAC6TTRALBMAOACNR1
SCHEMBL31261529 0.86 TTR (0.67) HDAC6TTRALBMAOACNR1
SCHEMBL20897612 0.86 MAOA (0.80) HDAC6TTRALBMAOACNR1
SCHEMBL30485193 0.86 TTR (0.67) HDAC6TTRALBMAOACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 EP disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 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 (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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG HDAC6 539/4885TTR 4320/4885ALB 3280/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG HDAC6 539/4885TTR 4320/4885ALB 3280/4885

“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.