SCHEMBL6330155

SCHEMBL6330155

Cc1cc(C#CCCN2CCOCC2)cc(C)c1N1CC(Cc2ccc(F)cc2F)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.40
SLC6A4 P31645 6/20 0.40
P2RX7 Q99572 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CNR2 P34972 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK14 Q16539 1/20 0.33
HTR2A P28223 1/20 0.33
CCR3 P51677 1/20 0.33

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
SCHEMBL6328623 0.92 HTR2A (0.34) HRH3MAPK14HTR2ACCR3
SCHEMBL6327858 0.86 HTR2A (0.33) P2RX7TDP1HTR2ACCR3
SCHEMBL6335976 0.84 ACHE (0.31) P2RX7HTR2ACCR3
SCHEMBL6335674 0.84 HTR2A (0.33) P2RX7TDP1HTR2ACCR3
SCHEMBL6336668 0.79 MEN1 (0.39) MAPK14HTR2A
SCHEMBL6330806 0.78 P2RX7 (0.36) P2RX7TDP1HTR2ACCR3
SCHEMBL6326157 0.77 P2RX7 (0.36) P2RX7TDP1MAPK14HTR2A
SCHEMBL6330114 0.77 P2RX7 (0.43) P2RX7TDP1MAPK14HTR2ACCR3
SCHEMBL6329161 0.76 P2RX7 (0.40) P2RX7TDP1MAPK14HTR2ACCR3
SCHEMBL6334210 0.76 P2RX7 (0.34) P2RX7HTR2ACCR3

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 HRH3 3053/4885SLC6A4 4750/4885P2RX7 2638/4885

“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.