SCHEMBL6806505

SCHEMBL6806505

CC(=O)Oc1c(C2CCN(CCCCNC(=O)c3ccc(-c4ccc(C#N)cc4)cc3)CC2)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.55
CCR2 P41597 4/20 0.53
DRD3 P35462 8/20 0.48
DRD2 P14416 7/20 0.48
CHRM4 P08173 1/20 0.47
HTR2A P28223 2/20 0.46
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
DRD4 P21917 2/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 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
SCHEMBL6807491 0.85 CCR3 (0.49) CCR3CCR2DRD3DRD2CHRM4
SCHEMBL6808300 0.83 CCR2 (0.48) CCR2DRD3DRD2HTR2AHTR1A
SCHEMBL6806579 0.83 CCR3 (0.52) CCR3CCR2DRD3DRD2CHRM4
SCHEMBL6719658 0.82 CCR2 (0.56) CCR2DRD3DRD2HTR2AHTR1A
SCHEMBL6802884 0.82 CCR3 (0.53) CCR3CCR2DRD3DRD2CHRM4
SCHEMBL3119715 0.76 HRH3 (0.55) HTR1A
SCHEMBL6805068 0.76 CCR3 (0.51) CCR3CCR2DRD3DRD2CHRM4
SCHEMBL3122526 0.75 HRH3 (0.54)
SCHEMBL6802847 0.75 CCR3 (0.47) CCR3CCR2DRD3DRD2CHRM4
SCHEMBL6806794 0.74 CCR3 (0.49) CCR3CCR2DRD3DRD2CHRM4

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 4 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

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 290/4885CCR2 228/4885DRD3 222/4885

“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.