SCHEMBL6328797

SCHEMBL6328797

Cc1cccc(C)c1N1CC(Cc2ccccc2C(=O)O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK14 Q16539 1/20 0.38
P2RX7 Q99572 2/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FABP4 P15090 5/20 0.36
BRD4 O60885 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
FABP3 P05413 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 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
SCHEMBL6329626 0.88 ALDH1A1 (0.44) P2RX7KMT2AALDH1A1HTT
SCHEMBL6330239 0.85 POLB (0.40) P2RX7KMT2AALDH1A1BRD4HTT
SCHEMBL6329240 0.82 P2RX7 (0.38) P2RX7KMT2A
SCHEMBL6335308 0.82 L3MBTL1 (0.42) ALDH1A1POLB
SCHEMBL6328210 0.77 P2RX7 (0.35) P2RX7KMT2AALDH1A1HTT
SCHEMBL6328213 0.77 P2RX7 (0.35) P2RX7KMT2AALDH1A1HTT
SCHEMBL6330907 0.76 TP53 (0.41)
SCHEMBL6328000 0.73 RAB9A (0.38) KMT2A
SCHEMBL6330392 0.72 SMN1; SMN2 (0.36) KMT2AALDH1A1BRD4
SCHEMBL10514159 0.72 ALDH1A1 (0.48) GRIK1CYP2C9CYP2C19HTR2BMAPK14

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 GRIK1 2442/4885CYP2C9 3676/4885CYP2C19 3243/4885

“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.