SCHEMBL5405353

SCHEMBL5405353

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)Cc1ccc(Cl)cc1)C2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.59
KCNH2 Q12809 4/20 0.59
HSD11B1 P28845 2/20 0.54
CYP2D6 P10635 6/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
GHSR Q92847 2/20 0.46
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL5391243 0.95 CCR8 (0.58) CCR8KCNH2HSD11B1CYP2D6KDM4E
Trifluoroacetic Acid SCHEMBL5428442 0.95 CCR8 (0.54) CCR8KCNH2HSD11B1CYP2D6KDM4E
SCHEMBL5402919 0.94 CCR8 (0.57) CCR8KCNH2HSD11B1CYP2D6KDM4E
SCHEMBL5403130 0.93 CCR8 (0.59) CCR8KCNH2HSD11B1CYP2D6KDM4E
SCHEMBL5399247 0.92 CCR8 (0.60) CCR8KCNH2HSD11B1CYP2D6KDM4E
Trifluoroacetic Acid SCHEMBL5434664 0.90 CCR8 (0.52) CCR8KCNH2HSD11B1CYP2D6KDM4E
SCHEMBL5395055 0.89 CCR8 (0.57) CCR8KCNH2HSD11B1CYP2D6KDM4E
SCHEMBL5389952 0.89 CCR8 (0.72) CCR8KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL5396042 0.89 CCR8 (0.56) CCR8KCNH2HSD11B1CYP2D6KDM4E
SCHEMBL5398912 0.89 CCR8 (0.56) CCR8KCNH2CYP2D6TSHRPTGDR2

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 2793/4885HSD11B1 1665/4885

“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.