SCHEMBL6328141

SCHEMBL6328141

O=C(O)CCCC(=O)Nc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
P2RX7 Q99572 13/20 0.37
ALDH1A1 P00352 1/20 0.36
HTR2A P28223 1/20 0.36
CCR3 P51677 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6326716 0.95 P2RX7 (0.38) P2RX7HTR2ACCR3SIGMAR1
SCHEMBL6333553 0.92 P2RX7 (0.38) P2RX7HTR2ACCR3
SCHEMBL6337113 0.92 P2RX7 (0.37) P2RX7HTR2ACCR3
SCHEMBL6328414 0.89 ALDH1A1 (0.38) P2RX7ALDH1A1L3MBTL1
SCHEMBL6328603 0.86 P2RX7 (0.44) P2RX7ALDH1A1SIGMAR1GAAL3MBTL1
SCHEMBL6333754 0.86 P2RX7 (0.41) POLBP2RX7HTR2ACCR3L3MBTL1
SCHEMBL6330704 0.85 ALDH1A1 (0.39) P2RX7ALDH1A1
SCHEMBL6336907 0.85 P2RX7 (0.38) P2RX7HTR2ACCR3
SCHEMBL6330799 0.84 P2RX7 (0.39) P2RX7HTR2ACCR3
SCHEMBL6335985 0.84 SMN1; SMN2 (0.41) POLBP2RX7ALDH1A1NPSR1

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 POLB 1872/4885HPGD 3810/4885P2RX7 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.