SCHEMBL5425142

SCHEMBL5425142

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.43
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KCNJ1 P48048 2/20 0.35
CYP2D6 P10635 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5431367 0.92 KCNH2 (0.42) CCR8KCNH2ALDH1A1KDM4ESIGMAR1
SCHEMBL5433649 0.90 CCR8 (0.46) CCR8KCNH2ALDH1A1KDM4EALOX15
SCHEMBL5437351 0.90 CCR8 (0.46) CCR8KCNH2ALDH1A1KDM4ESIGMAR1
SCHEMBL5428130 0.90 CCR8 (0.46) CCR8KCNH2ALDH1A1KDM4EALOX15
SCHEMBL5428448 0.90 CCR8 (0.46) CCR8KCNH2ALDH1A1KDM4EALOX15
SCHEMBL5430876 0.89 KCNH2 (0.44) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5432394 0.88 KCNH2 (0.44) CCR8KCNH2KDM4EALOX15CYP2D6
SCHEMBL5446429 0.87 CCR8 (0.43) CCR8KCNH2ALDH1A1KDM4EALOX15
SCHEMBL5425775 0.87 ALDH1A1 (0.40) CCR8KCNH2ALDH1A1KDM4EALOX15
SCHEMBL5436923 0.87 CCR8 (0.46) CCR8KCNH2ALDH1A1KDM4EALOX15

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 2793/4885ALDH1A1 1230/4885

“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.