SCHEMBL5434137

SCHEMBL5434137

Cc1nocc1C(=O)N1CCC2(CC1)CCN(Cc1ccccc1OCC(C)C)C2OC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.46
KCNH2 Q12809 5/20 0.46
CYP2D6 P10635 5/20 0.37
ALDH1A1 P00352 3/20 0.37
NAMPT P43490 1/20 0.35
CYP3A4 P08684 5/20 0.35
TSHR P16473 3/20 0.34
USP2 O75604 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.32
CHRNA4 P43681 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL5434095 0.87 CCR8 (0.46) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL5430764 0.87 CCR8 (0.47) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL5428860 0.87 CCR8 (0.45) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL5437399 0.86 CCR8 (0.44) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL5431626 0.86 CCR8 (0.46) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL5437628 0.86 CCR8 (0.47) CCR8KCNH2ALDH1A1TSHRUSP2
SCHEMBL5436595 0.85 CCR8 (0.45) CCR8KCNH2CYP2D6ALDH1A1TSHR
SCHEMBL5436908 0.85 CCR8 (0.53) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL5429232 0.84 CCR8 (0.49) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL5431101 0.84 CCR8 (0.46) CCR8KCNH2ALDH1A1

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 2793/4885CYP2D6 1764/4885

“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.