SCHEMBL6806796

SCHEMBL6806796

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.46
DRD3 P35462 12/20 0.44
TMEM97 Q5BJF2 2/20 0.42
CCR2 P41597 2/20 0.42
DRD2 P14416 9/20 0.41
DRD4 P21917 3/20 0.41
CD274 Q9NZQ7 1/20 0.41
CHRM4 P08173 1/20 0.39
KCNH2 Q12809 1/20 0.38
HTR1A P08908 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37

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
SCHEMBL6805068 0.89 CCR3 (0.51) CCR3DRD3TMEM97CCR2DRD2
SCHEMBL6806794 0.87 CCR3 (0.49) CCR3DRD3TMEM97CCR2DRD2
SCHEMBL6807067 0.85 SLC2A1 (0.44) DRD3TMEM97CCR2DRD2DRD4
SCHEMBL6806579 0.84 CCR3 (0.52) CCR3DRD3TMEM97CCR2DRD2
SCHEMBL6811433 0.80 DRD4 (0.39) DRD3DRD2DRD4KCNH2
SCHEMBL6912325 0.79 CCR3 (0.44) CCR3DRD3TMEM97CCR2DRD2
SCHEMBL6802933 0.78 SLC2A1 (0.44) DRD3CCR2DRD2DRD4DRD1
SCHEMBL6802884 0.77 CCR3 (0.53) CCR3DRD3TMEM97CCR2DRD2
SCHEMBL6811161 0.75 MAOB (0.42) DRD3DRD2HTR1A
SCHEMBL6802847 0.72 CCR3 (0.47) CCR3DRD3TMEM97CCR2DRD2

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 2 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
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 290/4885DRD3 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.