SCHEMBL6330616

SCHEMBL6330616

O=C(NCc1ccccc1)NCc1ccccc1CC1CCC(=O)N(c2c(Cl)cccc2Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX7 Q99572 10/20 0.41
CCR3 P51677 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6328449 0.90 P2RX7 (0.45) NPC1RAB9AP2RX7GAA
SCHEMBL6328358 0.89 KMT2A (0.45) NPC1RAB9AP2RX7CCR3GAA
SCHEMBL6335094 0.87 P2RX7 (0.45) P2RX7GAA
SCHEMBL6335191 0.86 EPHX2 (0.46) NPC1RAB9AKDM4EALDH1A1MAPK1
SCHEMBL6328606 0.83 P2RX7 (0.45) P2RX7
SCHEMBL6328756 0.83 P2RX7 (0.36) P2RX7GAAHTT
SCHEMBL6330046 0.83 PTGER3 (0.44) NPC1RAB9AP2RX7CCR3GAA
SCHEMBL6334293 0.81 DCUN1D1 (0.50) RAB9ACCR3LMNAHTT
SCHEMBL6326202 0.81 CYP2C9 (0.43) CCR3GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL6335428 0.81 P2RX7 (0.39) P2RX7GAAALDH1A1HTT

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 1872/4885NPC1 2766/4885RAB9A 862/4885

“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.