SCHEMBL6788764

SCHEMBL6788764

CCc1ccc(C2CCN(CCCC(N)=O)CC2)c(OCC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.42
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1D P28221 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
PDE4B Q07343 1/20 0.40
TRPC6 Q9Y210 1/20 0.39
SCN7A Q01118 3/20 0.39
SCN5A Q14524 2/20 0.39
CNR2 P34972 2/20 0.39
CYP2J2 P51589 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL5937299 0.90 DRD2 (0.43) HTR4DRD2DRD4DRD3TRPC6
SCHEMBL6788769 0.86 HRH3 (0.42) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL6788124 0.83 DRD2 (0.46) DRD2DRD4DRD3CYP2J2HRH3
SCHEMBL6790425 0.80 TRPC6 (0.43) CHRM4PDE4BTRPC6CNR2
SCHEMBL6787753 0.80 DRD2 (0.47) ADRA1BDRD2
SCHEMBL3107897 0.80 DRD4 (0.53) DRD2DRD4DRD3HRH3
SCHEMBL5899884 0.80 MEN1 (0.39) HTR4DRD2DRD4DRD3CYP2J2
Hydrochloric Acid SCHEMBL6710612 0.79 DRD4 (0.52) DRD2DRD4DRD3HRH3
SCHEMBL5937185 0.76 HRH3 (0.44) DRD2HRH3
SCHEMBL6710663 0.76 DRD2 (0.40) DRD2DRD4DRD3CNR2HRH3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression BOUILLOT ANNE (FR) 2004-07-29 US claimed
EP-1351937-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP claimed
WO-2002055497-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO claimed
US-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression BOUILLOT ANNE (FR) 2004-07-29 US disclosed
US-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-15 US disclosed
EP-1351935-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
EP-1351937-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055495-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO disclosed
WO-2002055497-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO 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 (2 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-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 HTR4 168/4885CHRM4 575/4885CHRM5 746/4885
US-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 HTR4 177/4885CHRM4 445/4885CHRM5 649/4885

“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.