SCHEMBL5425841

SCHEMBL5425841

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1cccnc1N1CCOCC1)C2OC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 6/20 0.46
KCNH2 Q12809 6/20 0.46
EPHX2 P34913 1/20 0.38
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
P2RX7 Q99572 1/20 0.33
NPC1 O15118 1/20 0.33
ABCB1 P08183 1/20 0.33
SCN2A Q99250 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
SCHEMBL5441560 0.84 CCR8 (0.49) CCR8KCNH2CYP2D6CYP3A4SMN1; SMN2
SCHEMBL5429242 0.83 CCR8 (0.47) CCR8KCNH2CYP2D6CYP3A4SMN1; SMN2
SCHEMBL5432010 0.83 CCR8 (0.47) CCR8KCNH2CYP2D6SMN1; SMN2USP2
SCHEMBL5434763 0.82 CCR8 (0.47) CCR8KCNH2CYP2D6CYP3A4SMN1; SMN2
SCHEMBL5430764 0.82 CCR8 (0.47) CCR8KCNH2CYP2D6CYP3A4SMN1; SMN2
SCHEMBL5428388 0.82 CCR8 (0.47) CCR8KCNH2CYP2D6CYP3A4SMN1; SMN2
SCHEMBL5432057 0.82 CCR8 (0.47) CCR8KCNH2CYP2D6CYP3A4SMN1; SMN2
SCHEMBL5425805 0.82 CCR8 (0.47) CCR8KCNH2CYP2D6CYP3A4SMN1; SMN2
SCHEMBL5428450 0.82 CCR8 (0.47) CCR8KCNH2CYP2D6CYP3A4SMN1; SMN2
SCHEMBL5431245 0.82 CCR8 (0.47) CCR8KCNH2CYP2D6SMN1; SMN2USP2

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 2793/4885EPHX2 316/4885

“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.