SCHEMBL6811489

SCHEMBL6811489

CCc1ccc(C2CCN(CCCCN)CC2)c(OP(=O)(O)OC(C)CC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
DRD2 P14416 1/20 0.33
CACNA1G O43497 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
HTR4 Q13639 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
MCHR1 Q99705 1/20 0.32
HTR1A P08908 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31

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
SCHEMBL6811433 0.91 DRD4 (0.39) SLC6A4DRD2CACNA1GKCNH2ADRA1D
SCHEMBL6811058 0.86 MAOB (0.42) DRD2HTR4HTR1A
SCHEMBL6811485 0.81 SLC6A4 (0.39) SLC6A4HRH3DRD2ADRA1DADRA1A
SCHEMBL6802933 0.80 SLC2A1 (0.44) DRD2CACNA1GKMT2AMCHR1DRD1
SCHEMBL6710744 0.78 DRD2 (0.51) SLC6A4HRH3DRD2HTR4MEN1
SCHEMBL6811161 0.78 MAOB (0.42) DRD2ADRA1DADRA1AADRA1BHTR4
SCHEMBL5937185 0.77 HRH3 (0.44) SLC6A4HRH3DRD2MEN1KMT2A
SCHEMBL6788133 0.76 SLC6A4 (0.46) SLC6A4HRH3DRD2HTR1ADRD1
SCHEMBL6788769 0.74 HRH3 (0.42) SLC6A4HRH3DRD2ADRA1BHTR4
SCHEMBL6783746 0.72 SLC6A4 (0.40) SLC6A4HRH3DRD2ADRA1DADRA1A

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-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
WO-2002055495-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 (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-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 SLC6A4 812/4885HRH3 561/4885DRD2 269/4885

“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.