SCHEMBL6326202

SCHEMBL6326202

O=C1CCC(Cc2ccccc2)CN1c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 5/20 0.43
ATM Q13315 2/20 0.43
ACLY P53396 1/20 0.42
FAAH O00519 1/20 0.41
TACR3 P29371 1/20 0.40
CCR3 P51677 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SPR P35270 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL6336615 0.90 MEN1 (0.40) CYP2C9CYP2C19HTR2BMAPK14ALDH1A1
SCHEMBL6333187 0.88 ACLY (0.42) CYP2C9CYP2C19HTR2BMAPK14ALDH1A1
SCHEMBL6330655 0.88 KMT2A (0.36) CYP2C9CYP2C19HTR2BMAPK14ACLY
SCHEMBL6327832 0.88 HCRTR2 (0.40) CYP2C9CYP2C19MAPK14HTT
SCHEMBL6330895 0.87 CTSS (0.42) ALDH1A1SPR
SCHEMBL6326812 0.86 CYP2C9 (0.43) CYP2C9CYP2C19HTR2BMAPK14ALDH1A1
SCHEMBL6335428 0.86 P2RX7 (0.39) CYP2C9CYP2C19ALDH1A1ATMGAA
SCHEMBL6327828 0.85 HCRTR1 (0.40) ACLYKMT2A
SCHEMBL6326541 0.85 CHRM5 (0.46) SLC6A2SLC6A4KMT2A
SCHEMBL6333276 0.85 KMT2A (0.34) CYP2C9CYP2C19HTR2BMAPK14ATM

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-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-04-21 US claimed
EP-1447401-A1 PIPERIDIN-2-ONE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 EP claimed
US-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-04-21 US disclosed
EP-1447401-A1 PIPERIDIN-2-ONE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 EP 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-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient MAPKAP1, MAPK1, MAPK8 CYP2C9 3676/4885CYP2C19 3243/4885HTR2B 2959/4885

“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.