SCHEMBL5426600

SCHEMBL5426600

CCCCOc1ccc(C(=O)N2CCC3(CC2)CCN(Cc2ccccc2OCC(C)C)C3OC(=O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.50
KCNH2 Q12809 5/20 0.50
USP2 O75604 4/20 0.42
CYP2D6 P10635 4/20 0.42
HPGD P15428 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL5428109 0.92 CCR8 (0.52) CCR8KCNH2USP2CYP2D6ALDH1A1
SCHEMBL5437945 0.91 CCR8 (0.51) CCR8KCNH2USP2CYP2D6ALDH1A1
SCHEMBL5426515 0.90 CCR8 (0.51) CCR8KCNH2USP2CYP2D6ALDH1A1
SCHEMBL5432332 0.90 CCR8 (0.52) CCR8KCNH2USP2CYP2D6ALDH1A1
SCHEMBL5436908 0.90 CCR8 (0.53) CCR8KCNH2USP2CYP2D6ALDH1A1
SCHEMBL5437623 0.90 CCR8 (0.40) CCR8KCNH2ALDH1A1HRH2HRH1
SCHEMBL5433943 0.89 CCR8 (0.55) CCR8KCNH2USP2CYP2D6ALDH1A1
SCHEMBL5434828 0.89 CCR8 (0.52) CCR8KCNH2USP2CYP2D6ALDH1A1
SCHEMBL5428453 0.88 CCR8 (0.49) CCR8KCNH2USP2CYP2D6HPGD
SCHEMBL5434654 0.87 CCR8 (0.51) CCR8KCNH2USP2CYP2D6ALDH1A1

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 2793/4885USP2 1826/4885

“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.