SCHEMBL6326541

SCHEMBL6326541

O=C1CCC(Cc2ccc(C(F)(F)F)cc2)CN1c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.46
CHRM3 P20309 1/20 0.46
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
P2RX7 Q99572 1/20 0.36
CCR5 P51681 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
RPS6KB1 P23443 1/20 0.36
TRAP1 Q12931 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC2A1 P11166 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
SCHEMBL6327832 0.87 HCRTR2 (0.40) HCRTR1HCRTR2LPLLIPG
SCHEMBL6336615 0.85 MEN1 (0.40) P2RX7KMT2A
SCHEMBL6326756 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL6326202 0.85 CYP2C9 (0.43) SLC6A2SLC6A4KMT2A
SCHEMBL6330655 0.84 KMT2A (0.36) HCRTR1HCRTR2P2RX7KMT2A
SCHEMBL6333276 0.81 KMT2A (0.34) HCRTR2P2RX7KMT2A
SCHEMBL6329277 0.81 MEN1 (0.41) BCHEACHEBACE1KMT2A
SCHEMBL6327828 0.79 HCRTR1 (0.40) HCRTR1HCRTR2ACHEBACE1KMT2A
SCHEMBL6328381 0.78 ALDH1A1 (0.46) KMT2A
SCHEMBL6335428 0.78 P2RX7 (0.39) P2RX7KMT2A

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 CHRM5 1305/4885CHRM3 1940/4885HCRTR1 3728/4885

“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.