SCHEMBL6330895

SCHEMBL6330895

O=C1CCC(CCc2ccccc2)CN1c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSC P53634 1/20 0.42
SPR P35270 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6326202 0.87 CYP2C9 (0.43) SPRALDH1A1
SCHEMBL6335428 0.79 P2RX7 (0.39) ALDH1A1
SCHEMBL6328000 0.78 RAB9A (0.38)
SCHEMBL6336615 0.77 MEN1 (0.40) ALDH1A1
SCHEMBL6333187 0.76 ACLY (0.42) SPRALDH1A1
SCHEMBL6330655 0.76 KMT2A (0.36)
SCHEMBL6327832 0.76 HCRTR2 (0.40)
SCHEMBL6327828 0.76 HCRTR1 (0.40)
SCHEMBL6333276 0.75 KMT2A (0.34)
SCHEMBL6335791 0.75 PNMT (0.37)

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 CTSS 1695/4885CTSK 1843/4885CTSL 1248/4885

“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.