SCHEMBL5899861

SCHEMBL5899861

O=C1c2ccccc2C(=O)N1CCCCN1CCC(c2ccc3c(c2OCc2ccccc2)CCCC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
HTR1A P08908 5/20 0.44
DRD3 P35462 2/20 0.44
HTR7 P34969 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL6710793 0.88 HTR1A (0.44) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL5937368 0.87 DRD2 (0.50) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL6784310 0.86 HTR1A (0.45) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL5899843 0.86 ADRA1D (0.45) HTR1A
SCHEMBL5899905 0.83 S1PR5 (0.46) DRD2
SCHEMBL6710913 0.82 DRD3 (0.49) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL5899901 0.76 ENPP2 (0.46) HTR1A
SCHEMBL5899888 0.74 SLC6A2 (0.62) HTR1A
SCHEMBL6709071 0.73 HTR1A (0.53) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL5937286 0.71 HTR1A (0.51) DRD2HTR1AHTR7

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-20060122432-A1 Aryl piperidine derivatives and use thereof to reduce elevated levels of ldl-cholesterol GLAXO GROUP LIMITED (GB) 2006-06-08 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-20060122432-A1 Aryl piperidine derivatives and use thereof to reduce elevated levels of ldl-cholesterol LDLR, NR1H2, NR1H3 DRD2 573/4885HTR1A 1425/4885DRD3 624/4885

“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.