SCHEMBL6326113

SCHEMBL6326113

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.34
HTR2C P28335 6/20 0.34
PGR P06401 1/20 0.33
CCR3 P51677 1/20 0.33
USP30 Q70CQ3 2/20 0.32
P2RX7 Q99572 3/20 0.32
KCNH2 Q12809 2/20 0.31
GPR6 P46095 3/20 0.31
DRD2 P14416 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
MAOB P27338 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6326104 1.00 HTR2A (0.34) HTR2AHTR2CPGRCCR3USP30
SCHEMBL6402503 0.85 SLC6A2 (0.38) HTR2AGPR6MAOAACHEMAOB
SCHEMBL6400139 0.85 SLC6A2 (0.38) HTR2AGPR6MAOAACHEMAOB
SCHEMBL6328436 0.85 MAOA (0.37) HTR2AP2RX7GPR6MAOAACHE
SCHEMBL6328429 0.85 MAOA (0.37) HTR2AP2RX7GPR6MAOAACHE
SCHEMBL6334943 0.84 MAOA (0.36) HTR2AHTR2CCCR3P2RX7KCNH2
SCHEMBL6334941 0.84 MAOA (0.36) HTR2AHTR2CCCR3P2RX7KCNH2
SCHEMBL6330806 0.83 P2RX7 (0.36) HTR2AHTR2CCCR3P2RX7ALDH1A1
SCHEMBL6328440 0.83 P2RX7 (0.32) HTR2AHTR2CP2RX7ACHE
SCHEMBL6328442 0.83 P2RX7 (0.32) HTR2AHTR2CP2RX7ACHE

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 HTR2A 2694/4885HTR2C 3759/4885PGR 597/4885

“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.