SCHEMBL6784237

SCHEMBL6784237

C=CCOc1c(C2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.43
HTR1A P08908 5/20 0.43
DRD3 P35462 2/20 0.43
HTR7 P34969 2/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2A P28223 1/20 0.41
HTR6 P50406 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
SCHEMBL6784585 0.86 DRD2 (0.49) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL6791223 0.85 SLC6A4 (0.49) DRD2HTR7SLC6A4ADRA1DHTR2A
SCHEMBL6728261 0.85 DRD2 (0.53) DRD2HTR1ADRD3HTR7SLC6A4
SCHEMBL6789557 0.83 DRD2 (0.42) DRD2HTR7SLC6A4HTR6
SCHEMBL6709174 0.81 DRD2 (0.61) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL6710692 0.80 DRD2 (0.49) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL6791189 0.75 KDM4E (0.46) DRD2SLC6A4ALDH1A1
SCHEMBL6789308 0.73 DRD2 (0.58) DRD2HTR1ADRD3HTR7ALDH1A1
SCHEMBL6789412 0.73 SLC6A2 (0.43) HTR1ASLC6A4HTR6
SCHEMBL6707980 0.72 DRD2 (0.56) DRD2HTR1ADRD3HTR7HRH1

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-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression BOUILLOT ANNE (FR) 2004-07-29 US disclosed
EP-1351937-A1 ARYL PIPERIDINE 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

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-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 DRD2 152/4885HTR1A 223/4885DRD3 117/4885

“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.