SCHEMBL6326157

SCHEMBL6326157

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.36
MAPK14 Q16539 5/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
PTGER1 P34995 2/20 0.33
PER2 O15055 2/20 0.33
CRY2 Q49AN0 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
SCHEMBL6330806 0.90 P2RX7 (0.36) P2RX7ALDH1A1TDP1HTR2AHTR2C
SCHEMBL6330114 0.89 P2RX7 (0.43) P2RX7MAPK14ALDH1A1TDP1HTR2A
SCHEMBL6330148 0.87 MAPK14 (0.35) P2RX7MAPK14ALDH1A1TDP1HTR2A
SCHEMBL6328298 0.87 HTR2A (0.39) P2RX7MAPK14HTR2AHTR2C
SCHEMBL6403964 0.86 PTGER1 (0.39) P2RX7ALDH1A1TDP1PTGER1
SCHEMBL6329553 0.85 MAPK14 (0.39) P2RX7MAPK14ALDH1A1TDP1HTR2A
SCHEMBL6327880 0.84 MAPK14 (0.39) P2RX7MAPK14ALDH1A1TDP1PTGER1
SCHEMBL6328913 0.84 MAPK14 (0.40) P2RX7MAPK14ALDH1A1TDP1PTGER1
SCHEMBL6402503 0.82 SLC6A2 (0.38) ALDH1A1TDP1HTR2A
SCHEMBL6337834 0.82 HTR6 (0.34) P2RX7ALDH1A1TDP1HTR2AHTR2C

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 P2RX7 2638/4885MAPK14 64/4885ALDH1A1 2969/4885

“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.