SCHEMBL6707980

SCHEMBL6707980

O=C1c2ccccc2C(=O)N1CCCCN1CCC(Oc2cccc3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.56
HRH3 Q9Y5N1 2/20 0.51
HTR1A P08908 5/20 0.50
HTR7 P34969 4/20 0.50
DRD3 P35462 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
HTR2A P28223 2/20 0.49
HTR6 P50406 2/20 0.49

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
SCHEMBL6709334 0.82 HRH3 (0.56) DRD2HRH3HTR7DRD3MEN1
SCHEMBL6709174 0.80 DRD2 (0.61) DRD2HTR1AHTR7DRD3ADRA1D
SCHEMBL3111720 0.79 HRH3 (0.50) DRD2HRH3HTR1AHTR7DRD3
SCHEMBL1463650 0.78 DRD2 (0.62) DRD2HTR1AHTR7DRD3ADRA1D
SCHEMBL9555919 0.77 HTR7 (0.61) DRD2HTR1AHTR7DRD3ADRA1D
SCHEMBL9130014 0.77 DRD2 (0.59) DRD2HTR1AHTR7DRD3ADRA1D
SCHEMBL6710692 0.76 DRD2 (0.49) DRD2HTR1AHTR7DRD3ADRA1D
SCHEMBL6728261 0.76 DRD2 (0.53) DRD2HTR1AHTR7DRD3ADRA1D
SCHEMBL6789308 0.76 DRD2 (0.58) DRD2HTR1AHTR7DRD3ADRA1D
SCHEMBL9130018 0.76 DRD2 (0.46) DRD2HRH3HTR1AHTR7DRD3

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 DRD2 1008/4885HRH3 1492/4885HTR1A 959/4885

“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.