SCHEMBL5431367

SCHEMBL5431367

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.42
CCR8 P51685 2/20 0.42
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
MAPK1 P28482 1/20 0.38
ABCB1 P08183 2/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL5425142 0.92 CCR8 (0.43) KCNH2CCR8ALDH1A1SIGMAR1ADRA1A
SCHEMBL5434929 0.89 KCNH2 (0.44) KCNH2CCR8ALDH1A1SIGMAR1OPRK1
SCHEMBL5437351 0.88 CCR8 (0.46) KCNH2CCR8ALDH1A1L3MBTL1SIGMAR1
SCHEMBL5430900 0.88 ALDH1A1 (0.40) KCNH2CCR8ALDH1A1L3MBTL1SIGMAR1
SCHEMBL5428336 0.87 CCR8 (0.44) KCNH2CCR8ALDH1A1SIGMAR1MAPK1
SCHEMBL5436923 0.86 CCR8 (0.46) KCNH2CCR8ALDH1A1KDM4E
SCHEMBL5431110 0.86 CCR8 (0.46) KCNH2CCR8ALDH1A1KDM4E
SCHEMBL5433649 0.85 CCR8 (0.46) KCNH2CCR8ALDH1A1MAPK1KDM4E
SCHEMBL5446348 0.85 NPC1 (0.43) KCNH2CCR8KDM4E
SCHEMBL5428130 0.85 CCR8 (0.46) KCNH2CCR8ALDH1A1KDM4E

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 KCNH2 2793/4885CCR8 1/4885ALDH1A1 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.