SCHEMBL5404956

SCHEMBL5404956

CCOC(=O)c1ccc(NC(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.60
KCNH2 Q12809 2/20 0.60
MAPK1 P28482 2/20 0.56
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2D6 P10635 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.47
FAAH O00519 1/20 0.47
TSHR P16473 1/20 0.46
ABL1 P00519 1/20 0.46
POLB P06746 1/20 0.46
RIN1 Q13671 1/20 0.46

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
SCHEMBL5437964 0.91 CCR8 (0.58) CCR8KCNH2MAPK1ALDH1A1MAPT
SCHEMBL5402007 0.89 CCR8 (0.64) CCR8KCNH2ALDH1A1CYP2D6USP2
SCHEMBL5402897 0.88 CCR8 (0.67) CCR8KCNH2CYP2D6USP2FAAH
SCHEMBL5428949 0.87 CCR8 (0.62) CCR8KCNH2RAB9ANPC1CYP2D6
SCHEMBL5390880 0.87 CCR8 (0.62) CCR8KCNH2ALDH1A1MAPTKDM4E
SCHEMBL5396878 0.86 CCR8 (0.61) CCR8KCNH2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL5409291 0.85 CCR8 (0.61) CCR8KCNH2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL5390876 0.83 CCR8 (0.61) CCR8KCNH2RAB9AALDH1A1SMN1; SMN2
SCHEMBL5431216 0.83 KCNH2 (0.60) CCR8KCNH2RAB9ANPC1MAPT
SCHEMBL5397499 0.82 KCNH2 (0.61) CCR8KCNH2ALDH1A1SMN1; SMN2CYP2D6

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 2793/4885MAPK1 3238/4885

“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.