SCHEMBL6330606

SCHEMBL6330606

CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.42
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
SCN9A Q15858 7/20 0.40
PPARA Q07869 2/20 0.40
RAB9A P51151 1/20 0.38
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PABPC1 P11940 1/20 0.36
S1PR1 P21453 1/20 0.36
MAP4K1 Q92918 1/20 0.35
P2RX7 Q99572 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
SCHEMBL6330602 1.00 CTSS (0.42) CTSSKLK7KLK5SCN9APPARA
SCHEMBL6334126 0.89 SCN9A (0.41) SCN9AMAP4K1
SCHEMBL6333473 0.84 RORC (0.38) SCN9AP2RX7
SCHEMBL6328530 0.79 NPY2R (0.39) SCN9AMEN1KMT2A
SCHEMBL6328603 0.78 P2RX7 (0.44) MEN1KMT2AL3MBTL1P2RX7
SCHEMBL6330799 0.78 P2RX7 (0.39) P2RX7
SCHEMBL6335084 0.77 NPY2R (0.40) P2RX7
SCHEMBL6333754 0.76 P2RX7 (0.41) L3MBTL1P2RX7
SCHEMBL6328405 0.76 RORC (0.40) SCN9A
SCHEMBL6326051 0.75 RORC (0.42)

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 CTSS 1695/4885KLK7 3648/4885KLK5 3529/4885

“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.