SCHEMBL6806579

SCHEMBL6806579

CC(=O)Oc1cc(C)ccc1C1CCN(CCCCNC(=O)c2ccc(-c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.52
DRD3 P35462 12/20 0.50
TMEM97 Q5BJF2 2/20 0.47
CD274 Q9NZQ7 1/20 0.47
DRD2 P14416 9/20 0.47
CCR2 P41597 1/20 0.47
DRD4 P21917 3/20 0.46
CHRM4 P08173 1/20 0.44
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL6802884 0.91 CCR3 (0.53) CCR3DRD3TMEM97CD274DRD2
SCHEMBL6805068 0.90 CCR3 (0.51) CCR3DRD3TMEM97CD274DRD2
SCHEMBL6806794 0.88 CCR3 (0.49) CCR3DRD3TMEM97CD274DRD2
SCHEMBL6802870 0.86 DRD3 (0.45) CCR3DRD3TMEM97CD274DRD2
SCHEMBL6806796 0.84 CCR3 (0.46) CCR3DRD3TMEM97CD274DRD2
SCHEMBL6806505 0.83 CCR3 (0.55) CCR3DRD3CD274DRD2CCR2
SCHEMBL6804052 0.82 SLC2A1 (0.50) DRD3TMEM97DRD2CCR2DRD4
SCHEMBL6807491 0.81 CCR3 (0.49) CCR3DRD3TMEM97CD274DRD2
SCHEMBL6912325 0.78 CCR3 (0.44) CCR3DRD3TMEM97DRD2CCR2
SCHEMBL6805753 0.74 SLC2A1 (0.49) DRD3DRD2CCR2DRD4MAPT

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 6 patents. 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 claimed
EP-1351935-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP claimed
WO-2002055495-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO claimed
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
WO-2002055495-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-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 CCR3 290/4885DRD3 222/4885TMEM97 147/4885

“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.