SCHEMBL6402503

SCHEMBL6402503

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
RARB P10826 1/20 0.36
AKR1C3 P42330 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESR1 P03372 3/20 0.34
HTR2A P28223 1/20 0.34
GPER1 Q99527 1/20 0.34
GSK3B P49841 2/20 0.33
BACE1 P56817 2/20 0.33
EPHX2 P34913 1/20 0.33
GPR6 P46095 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL6400139 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MAOAACHE
SCHEMBL6334943 0.92 MAOA (0.36) SLC6A2SLC6A4SLC6A3MAOAACHE
SCHEMBL6334941 0.92 MAOA (0.36) SLC6A2SLC6A4SLC6A3MAOAACHE
SCHEMBL6328436 0.90 MAOA (0.37) MAOAACHEMAOBIDO1TDO2
SCHEMBL6328429 0.90 MAOA (0.37) MAOAACHEMAOBIDO1TDO2
SCHEMBL6403964 0.85 PTGER1 (0.39) ALDH1A1TDP1GPR6PTGDR2
SCHEMBL6326113 0.85 HTR2A (0.34) MAOAACHEMAOBALDH1A1TDP1
SCHEMBL6326104 0.85 HTR2A (0.34) MAOAACHEMAOBALDH1A1TDP1
SCHEMBL6330806 0.83 P2RX7 (0.36) ALDH1A1TDP1HTR2A
SCHEMBL6328442 0.83 P2RX7 (0.32) ACHEHTR2APTGDR2

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
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

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 SLC6A2 4112/4885SLC6A4 4750/4885SLC6A3 4570/4885

“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.