SCHEMBL5429232

SCHEMBL5429232

CC(C)COc1ccccc1CN1CCC2(CCN(C(=O)c3ccoc3)CC2)C1OC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.49
KCNH2 Q12809 5/20 0.49
TSHR P16473 3/20 0.39
USP2 O75604 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 3/20 0.36
HIF1A Q16665 1/20 0.36
CYP2D6 P10635 6/20 0.36
HTR1A P08908 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
SCHEMBL5436908 0.88 CCR8 (0.53) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5433943 0.88 CCR8 (0.55) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5428109 0.87 CCR8 (0.52) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5432332 0.87 CCR8 (0.52) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5434828 0.87 CCR8 (0.52) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5428453 0.86 CCR8 (0.49) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5435334 0.86 CCR8 (0.49) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5437945 0.86 CCR8 (0.51) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5431225 0.86 CCR8 (0.49) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5426515 0.85 CCR8 (0.51) CCR8KCNH2TSHRUSP2SMN1; 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 2793/4885TSHR 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.