SCHEMBL6328690

SCHEMBL6328690

O=C1CCC(Cc2ccc(F)cc2F)CN1c1c(Cl)cc(NCCN2CCCC2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
CCR3 P51677 1/20 0.40
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
KCNH2 Q12809 3/20 0.35
MCHR1 Q99705 1/20 0.35
P2RX7 Q99572 5/20 0.35
HTR2C P28335 4/20 0.35
DRD2 P14416 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
GPR6 P46095 1/20 0.34

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
SCHEMBL6335064 0.99 HTR2A (0.40) HTR2ACCR3KDM4ESMN1; SMN2SIGMAR1
SCHEMBL6336559 0.93 HTR2A (0.36) HTR2ACCR3KCNH2MCHR1P2RX7
SCHEMBL6329161 0.92 P2RX7 (0.40) HTR2ACCR3KDM4ESMN1; SMN2P2RX7
SCHEMBL6331104 0.87 P2RX7 (0.37) HTR2ACCR3P2RX7HTR2CGPR6
SCHEMBL6328573 0.85 NMT2 (0.41) HTR2AP2RX7HTR2CACHEGPR6
SCHEMBL6336004 0.84 P2RX7 (0.39) HTR2AP2RX7HTR2CBCHEACHE
SCHEMBL6336907 0.84 P2RX7 (0.38) HTR2ACCR3P2RX7GPR6
SCHEMBL6335068 0.83 P2RX7 (0.35) HTR2ACCR3P2RX7HTR2CGPR6
SCHEMBL6336600 0.83 P2RX7 (0.40) HTR2ACCR3P2RX7
SCHEMBL6329084 0.83 NMT2 (0.37) HTR2ACCR3P2RX7HTR2CACHE

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 HTR2A 2694/4885CCR3 1359/4885KDM4E 4383/4885

“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.