SCHEMBL5428448

SCHEMBL5428448

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.46
KCNH2 Q12809 4/20 0.46
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.39
ALOX15 P16050 1/20 0.37
CYP2D6 P10635 3/20 0.36
CACNA1G O43497 3/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1I Q9P0X4 2/20 0.36
CCR5 P51681 1/20 0.36
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL5428130 0.94 CCR8 (0.46) CCR8KCNH2KDM4EALDH1A1PTGDR2
SCHEMBL5433649 0.93 CCR8 (0.46) CCR8KCNH2KDM4EALDH1A1PTGDR2
SCHEMBL5432394 0.91 KCNH2 (0.44) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5442897 0.90 KCNH2 (0.44) CCR8KCNH2KDM4EPTGDR2CYP2D6
SCHEMBL5430876 0.90 KCNH2 (0.44) CCR8KCNH2KDM4EPTGDR2ALOX15
SCHEMBL5425142 0.90 CCR8 (0.43) CCR8KCNH2KDM4EALDH1A1ALOX15
SCHEMBL5446429 0.90 CCR8 (0.43) CCR8KCNH2KDM4EALDH1A1ALOX15
SCHEMBL5431110 0.89 CCR8 (0.46) CCR8KCNH2KDM4EALDH1A1PTGDR2
SCHEMBL5436923 0.89 CCR8 (0.46) CCR8KCNH2KDM4EALDH1A1PTGDR2
SCHEMBL5428336 0.89 CCR8 (0.44) CCR8KCNH2KDM4EALDH1A1ALOX15

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 1 patent. 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

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 2793/4885KDM4E 2994/4885

“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.