SCHEMBL6328872

SCHEMBL6328872

CN1CCN(Cc2cc(Cl)c(N3CC(Cc4ccc(F)cc4F)CCC3=O)c(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.41
TNKS O95271 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAPK14 Q16539 1/20 0.37
AXL P30530 4/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36
MPO P05164 1/20 0.36
CLPP Q16740 1/20 0.36
P2RX7 Q99572 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL6330571 0.88 MAPK14 (0.46) MAPK14P2RX7HTR2AHTR2C
SCHEMBL6336559 0.87 HTR2A (0.36) BCHEACHEBACE1MAPK14DRD2
SCHEMBL6329615 0.84 P2RX7 (0.37) BCHEACHEBACE1P2RX7HTR2A
SCHEMBL6337759 0.83 PGR (0.38) MAPK14P2RX7HTR2AHTR2C
SCHEMBL6329598 0.82 HTR2A (0.39) BCHEACHEBACE1P2RX7HTR2A
SCHEMBL6328298 0.81 HTR2A (0.39) MAPK14P2RX7HTR2AHTR2C
SCHEMBL6327592 0.81 HTR2A (0.44) BCHEACHEBACE1MAPK14P2RX7
SCHEMBL6337245 0.81 HTR2A (0.44) BCHEACHEBACE1MAPK14P2RX7
SCHEMBL6335030 0.81 HTR2A (0.44) BCHEACHEBACE1MAPK14P2RX7
SCHEMBL6328483 0.81 HTR2A (0.38) HTR6BCHEACHEBACE1P2RX7

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 HTR6 4221/4885TNKS 1521/4885BCHE 4758/4885

“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.