SCHEMBL14005285

SCHEMBL14005285

c1ccc(CN2CCN(c3cc(NCc4cc5ccccc5[nH]4)ncn3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.54
PIK3CB P42338 1/20 0.52
METTL3 Q86U44 2/20 0.46
CASP1 P29466 1/20 0.45
CASP5 P51878 1/20 0.45
PRCP P42785 2/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ABCB1 P08183 1/20 0.44
MAPT P10636 1/20 0.44
ABCC1 P33527 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
ACHE P22303 3/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 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
SCHEMBL4896185 0.84 HRH4 (0.75) HRH4PIK3CBMETTL3CASP1CASP5
SCHEMBL4894189 0.83 HRH4 (0.53) HRH4PIK3CBPRCPKDM4EALDH1A1
SCHEMBL8681808 0.75 HRH4 (0.73) HRH4DRD2DRD3DRD4
SCHEMBL5029686 0.73 PIK3CB (0.80) HRH4PIK3CBMETTL3PRCPHTT
SCHEMBL23964222 0.72 DRD4 (0.60) HRH4KDM4EALDH1A1MAPTDRD2
SCHEMBL4896683 0.72 HRH4 (0.51) HRH4PIK3CBCASP1CASP5HTT
SCHEMBL8683849 0.71 HRH3 (0.72) HRH4DRD2DRD3
SCHEMBL14070642 0.71 HRH4 (0.50) HRH4PIK3CBMETTL3CASP1CASP5
SCHEMBL4787976 0.70 HTR7 (0.53) HRH4PIK3CBMETTL3CASP1CASP5
SCHEMBL4888066 0.70 HTR7 (0.53) HRH4PIK3CBMETTL3CASP1CASP5

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 HRH4 1565/4885PIK3CB 1550/4885METTL3 4810/4885

“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.