SCHEMBL6707313

SCHEMBL6707313

NCCCCN1CCC(c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
SLC6A4 P31645 2/20 0.42
DRD2 P14416 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 3/20 0.41
MAPT P10636 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCL1 Q07820 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4093709 0.96 TLR9 (0.47) TLR9TLR7SIGMAR1SLC6A4DRD2
SCHEMBL6707222 0.80 TSHR (0.50) DRD2HTTCYP3A4CYP2D6CYP2C19
SCHEMBL6712683 0.78 SLC6A4 (0.68) SIGMAR1SLC6A4DRD2CYP3A4CYP2D6
SCHEMBL14183799 0.77 QDPR (0.54) HTTCYP3A4MAPTCYP2D6CYP2C19
SCHEMBL3195722 0.76 HTR1A (0.55) DRD2CYP3A4MAPTCYP2D6CYP2C19
Hydrochloric Acid SCHEMBL3199186 0.75 HTR1A (0.54) DRD2CYP3A4MAPTCYP2D6CYP2C19
SCHEMBL6707993 0.75 MCHR1 (0.52) SIGMAR1SLC6A4CYP3A4CYP2D6CYP2C19
SCHEMBL109226 0.74 CYP2C19 (0.57) HTTCYP3A4MAPTCYP2D6CYP2C19
SCHEMBL1895209 0.74 CYP2C19 (0.57) HTTCYP3A4MAPTCYP2D6CYP2C19
SCHEMBL5729329 0.74 SIGMAR1 (0.69) SIGMAR1SLC6A4DRD2CYP3A4CYP2D6

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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US 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-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 (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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 TLR9 228/4885TLR7 97/4885SIGMAR1 90/4885

“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.