SCHEMBL6328623

SCHEMBL6328623

Cc1cc(C#CCCN2CCN(C)CC2)cc(C)c1N1CC(Cc2ccc(F)cc2F)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.34
GRIN1 Q05586 2/20 0.34
CCR3 P51677 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
MAPK14 Q16539 2/20 0.33
HTR2C P28335 2/20 0.33
KCNH2 Q12809 2/20 0.33
DRD2 P14416 1/20 0.33
MPO P05164 1/20 0.32

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
SCHEMBL6330155 0.92 HRH3 (0.40) HTR2ACCR3HRH3MAPK14
SCHEMBL6327858 0.88 HTR2A (0.33) HTR2ACCR3
SCHEMBL6335976 0.85 ACHE (0.31) HTR2ACCR3
SCHEMBL6335674 0.85 HTR2A (0.33) HTR2ACCR3
SCHEMBL6335170 0.79 ATM (0.40) HTR2AHTR2C
SCHEMBL6330806 0.79 P2RX7 (0.36) HTR2ACCR3HTR2C
Hydrochloric Acid SCHEMBL6328674 0.79 ATM (0.40) HTR2AHTR2C
SCHEMBL6326157 0.78 P2RX7 (0.36) HTR2AMAPK14HTR2C
SCHEMBL6330114 0.78 P2RX7 (0.43) HTR2ACCR3MAPK14HTR2C
SCHEMBL6334210 0.77 P2RX7 (0.34) HTR2ACCR3HTR2C

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 2694/4885GRIN1 1903/4885CCR3 1359/4885

“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.