SCHEMBL5434828

SCHEMBL5434828

CC(C)COc1ccccc1CN1CCC2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1OC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 6/20 0.52
KCNH2 Q12809 6/20 0.52
TSHR P16473 4/20 0.41
USP2 O75604 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 4/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 4/20 0.38
HIF1A Q16665 1/20 0.38
NPC1L1 Q9UHC9 1/20 0.37

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
SCHEMBL5433943 0.94 CCR8 (0.55) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5436908 0.92 CCR8 (0.53) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5428109 0.91 CCR8 (0.52) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5432332 0.91 CCR8 (0.52) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5437945 0.90 CCR8 (0.51) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5426515 0.89 CCR8 (0.51) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5434654 0.89 CCR8 (0.51) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5426600 0.89 CCR8 (0.50) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5428453 0.88 CCR8 (0.49) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5431987 0.88 CCR8 (0.49) 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.