SCHEMBL6325112

SCHEMBL6325112

COc1ccc2nc(NC(CN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)C(C)C)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
SSTR5 P35346 4/20 0.43
PDE2A O00408 1/20 0.42
AURKB Q96GD4 2/20 0.42
FBP1 P09467 1/20 0.42
CACNA1G O43497 3/20 0.40
KCNH2 Q12809 3/20 0.40
HTR2B P41595 2/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CCR8 P51685 1/20 0.40
HTR1A P08908 3/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL6325096 0.88 CCR3 (0.49) DRD2DRD4SSTR5AURKBFBP1
SCHEMBL6325101 0.88 CCR3 (0.49) DRD2DRD4SSTR5AURKBFBP1
SCHEMBL6325094 0.88 CCR3 (0.49) DRD2DRD4SSTR5AURKBFBP1
SCHEMBL6326205 0.86 SSTR5 (0.51) SSTR5HTR2BHRH1
SCHEMBL6332815 0.86 SSTR5 (0.51) SSTR5HTR2BHRH1
SCHEMBL6332820 0.86 SSTR5 (0.51) SSTR5HTR2BHRH1
SCHEMBL6322893 0.83 CCR3 (0.43) SSTR5FBP1HTR2BHRH1CCR3
SCHEMBL5782519 0.81 AURKB (0.46) DRD2DRD4SSTR5PDE2AAURKB
SCHEMBL6326070 0.77 CCR3 (0.51) SSTR5FBP1HTR2BHRH1CCR3
SCHEMBL6326066 0.77 CCR3 (0.51) SSTR5FBP1HTR2BHRH1CCR3

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-20050090504-A1 Piperidinyl and piperazinyl compounds substituted with bicyclo-heterocyclylalkyl groups useful as CCR3 receptor antagonists ROCHE PALO ALTO LLC 2005-04-28 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-20050090504-A1 Piperidinyl and piperazinyl compounds substituted with bicyclo-heterocyclylalkyl groups useful as CCR3 receptor antagonists CCR9, CCR3, CCR1 DRD2 610/4885DRD4 1082/4885SSTR5 908/4885

“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.