SCHEMBL5414714

SCHEMBL5414714

COc1cc(CC(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.52
KCNH2 Q12809 2/20 0.52
KDM4E B2RXH2 2/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2D6 P10635 6/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP2C19 P33261 1/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL5446345 0.96 CCR8 (0.49) CCR8KCNH2KDM4EALOX15MEN1
SCHEMBL5399505 0.95 CCR8 (0.50) CCR8KCNH2KDM4EALOX15MEN1
SCHEMBL5413996 0.94 CCR8 (0.56) CCR8KCNH2KDM4EALOX15MEN1
Trifluoroacetic Acid SCHEMBL5429056 0.92 CCR8 (0.47) CCR8KCNH2KDM4EALOX15MEN1
Trifluoroacetic Acid SCHEMBL5428335 0.91 CCR8 (0.52) CCR8KCNH2KDM4EALOX15MEN1
SCHEMBL5404988 0.89 MEN1 (0.54) CCR8KCNH2KDM4EALOX15MEN1
Trifluoroacetic Acid SCHEMBL5431288 0.86 CCR8 (0.50) CCR8KCNH2KDM4EALOX15MEN1
SCHEMBL5399247 0.83 CCR8 (0.60) CCR8KCNH2KDM4EALOX15MEN1
SCHEMBL5403130 0.83 CCR8 (0.59) CCR8KCNH2KDM4EALOX15MEN1
SCHEMBL5405353 0.83 CCR8 (0.59) CCR8KCNH2KDM4EALOX15MEN1

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 7 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 claimed
JP-2007509141-A 2007-04-12 JP claimed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP claimed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 WO claimed
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 2793/4885KDM4E 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.