SCHEMBL5433649

SCHEMBL5433649

Cc1ccc(CC(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2OC(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.46
KCNH2 Q12809 4/20 0.46
KDM4E B2RXH2 4/20 0.37
ALOX15 P16050 1/20 0.37
CYP2D6 P10635 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5431110 0.93 CCR8 (0.46) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5428448 0.93 CCR8 (0.46) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5428130 0.93 CCR8 (0.46) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5432394 0.92 KCNH2 (0.44) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5430876 0.91 KCNH2 (0.44) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5446429 0.90 CCR8 (0.43) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5425142 0.90 CCR8 (0.43) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5436923 0.90 CCR8 (0.46) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5428336 0.89 CCR8 (0.44) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5434103 0.89 CCR8 (0.53) CCR8KCNH2CYP2D6TSHRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 WO 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-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases CCR8, CCR1, CCR10 CCR8 1/4885KCNH2 2793/4885KDM4E 2994/4885

“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.