SCHEMBL6330571

SCHEMBL6330571

CN1CCN(c2cc(Cl)c(N3CC(Cc4ccc(F)cc4F)CCC3=O)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.46
P2RX7 Q99572 6/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
PGR P06401 1/20 0.36
HSD11B1 P28845 1/20 0.35
ATM Q13315 1/20 0.35
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
WEE1 P30291 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
GPR6 P46095 1/20 0.34

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
SCHEMBL6328872 0.88 HTR6 (0.41) MAPK14P2RX7HTR2AHTR2C
SCHEMBL6328644 0.86 HTR2A (0.37) MAPK14P2RX7HTR2AHTR2CPGR
SCHEMBL6336559 0.86 HTR2A (0.36) MAPK14P2RX7HTR2AHTR2CATM
SCHEMBL6329598 0.85 HTR2A (0.39) P2RX7HTR2AHTR2CPGR
SCHEMBL6336606 0.84 HTR2A (0.36) P2RX7HTR2AHTR2CPGR
SCHEMBL6328298 0.84 HTR2A (0.39) MAPK14P2RX7HTR2AHTR2CPGR
SCHEMBL6335030 0.84 HTR2A (0.44) MAPK14P2RX7HTR2AHTR2CCYP1A2
SCHEMBL6327592 0.84 HTR2A (0.44) MAPK14P2RX7HTR2AHTR2CCYP1A2
SCHEMBL6337245 0.84 HTR2A (0.44) MAPK14P2RX7HTR2AHTR2CCYP1A2
SCHEMBL6336004 0.83 P2RX7 (0.39) P2RX7HTR2AHTR2CPGR

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 MAPK14 64/4885P2RX7 2638/4885HTR2A 2694/4885

“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.