SCHEMBL6328381

SCHEMBL6328381

CC(=O)Nc1ccc(CC2CCC(=O)N(c3c(Cl)cccc3Cl)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
NAMPT P43490 1/20 0.39
MAPT P10636 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6329572 0.87 PTPN1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6330655 0.83 KMT2A (0.36) KMT2APOLBCYP2C9CYP2C19
SCHEMBL6336615 0.82 MEN1 (0.40) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL6335094 0.78 P2RX7 (0.45) GAA
SCHEMBL6329277 0.77 MEN1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL6327828 0.76 HCRTR1 (0.40) KMT2A
SCHEMBL6326756 0.75 HCRTR1 (0.52)
SCHEMBL6335428 0.74 P2RX7 (0.39) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6402402 0.73 P2RX7 (0.36) CYP3A4CYP2C9CYP2C19GAA
SCHEMBL6328756 0.73 P2RX7 (0.36) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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 ALDH1A1 2969/4885SMN1; SMN2 48/4885MEN1 205/4885

“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.