SCHEMBL5430876

SCHEMBL5430876

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2OC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
CCR8 P51685 3/20 0.44
TSHR P16473 3/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 5/20 0.35
KDM4E B2RXH2 3/20 0.35
ALOX15 P16050 2/20 0.35
GPR119 Q8TDV5 3/20 0.35
HTT P42858 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
BDKRB1 P46663 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL5433649 0.91 CCR8 (0.46) KCNH2CCR8TSHRUSP2SMN1; SMN2
SCHEMBL5428130 0.90 CCR8 (0.46) KCNH2CCR8TSHRUSP2SMN1; SMN2
SCHEMBL5428448 0.90 CCR8 (0.46) KCNH2CCR8TSHRUSP2SMN1; SMN2
SCHEMBL5428491 0.90 CCR8 (0.51) KCNH2CCR8TSHRUSP2SMN1; SMN2
SCHEMBL5425142 0.89 CCR8 (0.43) KCNH2CCR8TSHRUSP2SMN1; SMN2
SCHEMBL5432394 0.89 KCNH2 (0.44) KCNH2CCR8USP2CYP2D6KDM4E
SCHEMBL5446429 0.88 CCR8 (0.43) KCNH2CCR8TSHRUSP2SMN1; SMN2
SCHEMBL5431110 0.87 CCR8 (0.46) KCNH2CCR8TSHRUSP2SMN1; SMN2
SCHEMBL5436923 0.87 CCR8 (0.46) KCNH2CCR8TSHRUSP2SMN1; SMN2
SCHEMBL5428336 0.87 CCR8 (0.44) KCNH2CCR8TSHRUSP2SMN1; 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 KCNH2 2793/4885CCR8 1/4885TSHR 3697/4885

“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.