SCHEMBL6784657

SCHEMBL6784657

NCCCCN1CCC(c2ccc3ccccc3c2O)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.57
DRD2 P14416 1/20 0.52
ADRA1D P25100 4/20 0.46
HRH3 Q9Y5N1 2/20 0.44
SIGMAR1 Q99720 1/20 0.42
HTR7 P34969 1/20 0.41
BCHE P06276 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
SCHEMBL6710735 0.87 SLC6A4 (0.68) SLC6A4DRD2ADRA1DHRH3SIGMAR1
SCHEMBL6788939 0.85 DRD2 (0.50) SLC6A4DRD2ADRA1DHRH3HTR7
SCHEMBL9032338 0.83 SLC6A4 (0.70) SLC6A4DRD2ADRA1DHRH3BCHE
SCHEMBL6710692 0.82 DRD2 (0.49) SLC6A4DRD2ADRA1DHTR7
SCHEMBL6720905 0.82 SLC6A4 (0.54) SLC6A4DRD2ADRA1DHRH3SIGMAR1
SCHEMBL6789060 0.78 SLC6A4 (0.54) SLC6A4DRD2HRH3HTR7
SCHEMBL6791223 0.78 SLC6A4 (0.49) SLC6A4DRD2ADRA1DHRH3HTR7
SCHEMBL9323878 0.77 SLC6A4 (0.74) SLC6A4DRD2ADRA1DHRH3
SCHEMBL6790827 0.75 SLC6A4 (0.48) SLC6A4DRD2HRH3
Hydrochloric Acid SCHEMBL6133316 0.74 SLC6A4 (0.59) SLC6A4DRD2ADRA1DHTR7

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 8 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-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-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE 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
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 SLC6A4 969/4885DRD2 152/4885ADRA1D 44/4885
US-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 SLC6A4 812/4885DRD2 269/4885ADRA1D 53/4885

“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.