SCHEMBL6326804

SCHEMBL6326804

CN(C)CCNC(=O)c1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.42
MAPK11 Q15759 1/20 0.42
POLB P06746 1/20 0.42
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
P2RX7 Q99572 10/20 0.39
HTR7 P34969 1/20 0.39
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACKR3 P25106 1/20 0.36
NNMT P40261 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36

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
SCHEMBL6329273 0.91 HTR7 (0.44) MAPK14MAPK11POLBNMT2NMT1
SCHEMBL6335096 0.88 NMT2 (0.41) POLBNMT2NMT1P2RX7ACKR3
SCHEMBL6328573 0.87 NMT2 (0.41) POLBNMT2NMT1P2RX7
SCHEMBL6327543 0.86 HTR7 (0.46) MAPK14MAPK11HTR7BRD4KDM4E
SCHEMBL6330581 0.84 P2RX7 (0.41) MAPK14P2RX7
SCHEMBL6329084 0.84 NMT2 (0.37) POLBNMT2NMT1P2RX7
SCHEMBL6406268 0.83 P2RX7 (0.39) P2RX7HTR7
SCHEMBL6328593 0.82 PGR (0.38) MAPK14NMT2NMT1P2RX7
SCHEMBL6326225 0.81 P2RX7 (0.38) NMT2NMT1P2RX7
SCHEMBL6337759 0.81 PGR (0.38) MAPK14P2RX7

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 64/4885MAPK11 92/4885POLB 1872/4885

“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.