SCHEMBL6811161

SCHEMBL6811161

CCC(C)OP(=O)(O)Oc1cc(C)ccc1C1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.42
DRD2 P14416 4/20 0.41
HTR4 Q13639 2/20 0.40
HTR1A P08908 5/20 0.39
DRD3 P35462 3/20 0.39
HTR7 P34969 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX12 P18054 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6811058 0.92 MAOB (0.42) MAOBDRD2HTR4HTR1A
SCHEMBL6811433 0.86 DRD4 (0.39) DRD2DRD3ALDH1A1ADRA1DADRA1A
SCHEMBL6811157 0.83 DRD2 (0.45) MAOBDRD2HTR4HTR1ADRD3
SCHEMBL6784528 0.81 HTR1A (0.51) MAOBDRD2HTR1ADRD3HTR7
SCHEMBL6811489 0.78 SLC6A4 (0.36) DRD2HTR4HTR1ADRD3MEN1
SCHEMBL6807738 0.77 HTR1A (0.50) MAOBDRD2HTR1ADRD3HTR7
SCHEMBL6807067 0.75 SLC2A1 (0.44) DRD2DRD3
SCHEMBL6709310 0.75 DRD2 (0.51) MAOBDRD2HTR1ADRD3HTR7
SCHEMBL6707982 0.74 DRD2 (0.56) MAOBDRD2HTR1ADRD3HTR7
SCHEMBL6811053 0.74 DRD2 (0.45) DRD2HTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-15 US 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-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 MAOB 2742/4885DRD2 269/4885HTR4 177/4885

“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.