SCHEMBL5431306

SCHEMBL5431306

CC(C)COc1ccccc1CN1CCC2(CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)C1OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.42
KCNH2 Q12809 2/20 0.42
CCR3 P51677 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
GHSR Q92847 2/20 0.34
CYP2D6 P10635 4/20 0.34
NAMPT P43490 2/20 0.34
TSHR P16473 3/20 0.34
USP2 O75604 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2A P28223 2/20 0.32
CYP3A4 P08684 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
SCHEMBL5432447 0.90 CCR8 (0.41) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL5428462 0.90 CCR8 (0.41) CCR8KCNH2GHSRCYP2D6TSHR
SCHEMBL5433626 0.90 CCR8 (0.42) CCR8KCNH2KDM4EALOX15GHSR
SCHEMBL5437735 0.90 CCR8 (0.44) CCR8KCNH2GHSRCYP2D6TSHR
SCHEMBL5434671 0.89 CCR8 (0.42) CCR8KCNH2CCR3KDM4EALOX15
SCHEMBL5437585 0.89 CCR8 (0.42) CCR8KCNH2KDM4EALOX15GHSR
SCHEMBL5431293 0.89 ALDH1A1 (0.41) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5442842 0.88 HRH3 (0.42) CCR8KCNH2KDM4EALOX15GHSR
SCHEMBL5437402 0.88 CCR8 (0.40) CCR8KCNH2KDM4ETSHRALDH1A1
SCHEMBL5439737 0.87 KCNH2 (0.41) CCR8KCNH2KDM4EALOX15GHSR

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 2793/4885CCR3 4/4885

“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.