SCHEMBL6328442

SCHEMBL6328442

Cc1cc(C=CCCN(C)C)cc(C)c1N1CC(Cc2ccc(F)cc2F)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.32
ACHE P22303 1/20 0.31
PER2 O15055 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL6328440 1.00 P2RX7 (0.32) P2RX7ACHEPER2HTR2AHTR2C
SCHEMBL6326113 0.83 HTR2A (0.34) P2RX7ACHEHTR2AHTR2C
SCHEMBL6402503 0.83 SLC6A2 (0.38) ACHEHTR2APTGDR2
SCHEMBL6326104 0.83 HTR2A (0.34) P2RX7ACHEHTR2AHTR2C
SCHEMBL6400139 0.83 SLC6A2 (0.38) ACHEHTR2APTGDR2
SCHEMBL6334941 0.82 MAOA (0.36) P2RX7ACHEPER2HTR2AHTR2C
SCHEMBL6328909 0.82 ACHE (0.36) P2RX7ACHEHTR2AHTR2CPTGDR2
SCHEMBL6334943 0.82 MAOA (0.36) P2RX7ACHEPER2HTR2AHTR2C
SCHEMBL6330806 0.81 P2RX7 (0.36) P2RX7PER2HTR2AHTR2C
SCHEMBL6328436 0.81 MAOA (0.37) P2RX7ACHEHTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 P2RX7 2638/4885ACHE 3730/4885PER2 2276/4885

“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.