SCHEMBL6329161

SCHEMBL6329161

O=C1CCC(Cc2ccc(F)cc2F)CN1c1c(Cl)cc(NCCN2CCOCC2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
MAPK14 Q16539 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NSD2 O96028 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
MAP3K8 P41279 2/20 0.36
HTR2A P28223 1/20 0.36
CCR3 P51677 1/20 0.36
EGFR P00533 1/20 0.35
PDE5A O76074 1/20 0.35
MAPK13 O15264 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35

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
SCHEMBL6328690 0.92 HTR2A (0.40) P2RX7KDM4ESMN1; SMN2HTR2ACCR3
SCHEMBL6335064 0.91 HTR2A (0.40) P2RX7KDM4EHTTSMN1; SMN2APAF1
SCHEMBL6336559 0.91 HTR2A (0.36) P2RX7MAPK14HTR2ACCR3
SCHEMBL6331104 0.85 P2RX7 (0.37) P2RX7HTR2ACCR3
SCHEMBL6328573 0.82 NMT2 (0.41) P2RX7HTR2A
SCHEMBL6336004 0.82 P2RX7 (0.39) P2RX7HTR2A
SCHEMBL6336907 0.81 P2RX7 (0.38) P2RX7HTR2ACCR3
SCHEMBL6335068 0.81 P2RX7 (0.35) P2RX7HTR2ACCR3
SCHEMBL6336600 0.81 P2RX7 (0.40) P2RX7HTR2ACCR3
SCHEMBL6329084 0.81 NMT2 (0.37) 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 P2RX7 2638/4885MAPK14 64/4885TDP1 1960/4885

“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.