SCHEMBL6709392

SCHEMBL6709392

c1cc(C2CCNCC2)c(OCC2CC2)c2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.43
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A3 Q01959 6/20 0.39
HTR1A P08908 5/20 0.39
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALOX5AP P20292 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2C P28335 3/20 0.36
IKBKB O14920 3/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHUK O15111 1/20 0.35

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
SCHEMBL6794310 0.82 SLC6A2 (0.38) FEN1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5899888 0.81 SLC6A2 (0.62) FEN1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5937367 0.81 HTR2C (0.45) FEN1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6712471 0.77 F10 (0.43) FEN1ALOX5AP
SCHEMBL5899857 0.76 MEN1 (0.36) FEN1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6710663 0.73 DRD2 (0.40) HRH3
SCHEMBL6709364 0.73 HTR2C (0.42) HTR2C
SCHEMBL20201865 0.72 HTR2A (0.34) FEN1SLC6A4ALOX5AP
SCHEMBL6789169 0.68 HTR6 (0.46) SLC6A2SLC6A4SLC6A3HTR1ATDP1
SCHEMBL23228614 0.67 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3HTR1AHTR2C

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 6 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 disclosed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351937-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055497-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE 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 FEN1 3053/4885SLC6A2 2350/4885SLC6A4 969/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 FEN1 4810/4885SLC6A2 2604/4885SLC6A4 2034/4885

“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.