SCHEMBL6325101

SCHEMBL6325101

COc1ccc2nc(NC(CN3CCC(Cc4ccc(Cl)c(Cl)c4)CC3)C(C)C)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.49
AURKB Q96GD4 2/20 0.40
FBP1 P09467 1/20 0.40
SSTR5 P35346 3/20 0.39
KCNH2 Q12809 2/20 0.39
HTR1A P08908 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC2A1 P11166 1/20 0.38
ACHE P22303 3/20 0.38
APP P05067 1/20 0.37
BCHE P06276 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
CCR8 P51685 1/20 0.36

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 1.00 CCR3 (0.49) CCR3AURKBFBP1SSTR5KCNH2
SCHEMBL6325094 1.00 CCR3 (0.49) CCR3AURKBFBP1SSTR5KCNH2
SCHEMBL6326064 0.90 CCR3 (0.51) CCR3FBP1SSTR5HRH1HTR2B
SCHEMBL6326070 0.90 CCR3 (0.51) CCR3FBP1SSTR5HRH1HTR2B
SCHEMBL6326066 0.90 CCR3 (0.51) CCR3FBP1SSTR5HRH1HTR2B
SCHEMBL6326947 0.89 CCR3 (0.57) CCR3AURKBFBP1SSTR5KCNH2
SCHEMBL6326943 0.89 CCR3 (0.57) CCR3AURKBFBP1SSTR5KCNH2
SCHEMBL6326938 0.89 CCR3 (0.57) CCR3AURKBFBP1SSTR5KCNH2
SCHEMBL6325112 0.88 DRD2 (0.44) CCR3AURKBFBP1SSTR5KCNH2
SCHEMBL6327587 0.87 CCR3 (0.52) CCR3SSTR5HRH1HTR2B

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 CCR3 2/4885AURKB 3450/4885FBP1 4113/4885

“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.