SCHEMBL4187010

SCHEMBL4187010

CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 8/20 0.66
KCNH2 Q12809 7/20 0.66
ALDH1A1 P00352 3/20 0.60
CYP2D6 P10635 2/20 0.60
CYP3A4 P08684 2/20 0.60
USP2 O75604 1/20 0.60
MAPK1 P28482 1/20 0.60
MGLL Q99685 2/20 0.57
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
FAAH O00519 3/20 0.53
CHRM2 P08172 1/20 0.53
CHRM3 P20309 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL17276255 0.90 MGLL (0.68) CCR8ALDH1A1MGLLKDM4ELMNA
SCHEMBL2074176 0.89 CCR8 (0.69) CCR8KCNH2ALDH1A1CYP2D6CYP3A4
SCHEMBL12526355 0.88 CYP2D6 (0.69) ALDH1A1CYP2D6CYP3A4USP2MAPK1
SCHEMBL896968 0.86 FAAH (0.63) CCR8KCNH2MGLLFAAH
SCHEMBL5197063 0.86 CCR8 (0.74) CCR8KCNH2ALDH1A1CYP2D6CYP3A4
SCHEMBL30758661 0.85 FAAH (0.61) CCR8KCNH2MGLLFAAH
SCHEMBL20490879 0.85 FAAH (0.61) CCR8KCNH2MGLLFAAH
SCHEMBL27161642 0.84 CYP2D6 (0.52) CCR8KCNH2ALDH1A1CYP2D6CYP3A4
SCHEMBL14026999 0.84 CYP2D6 (0.63) ALDH1A1CYP2D6CYP3A4USP2MAPK1
SCHEMBL2451021 0.82 ALDH1A1 (0.65) ALDH1A1MGLLKDM4ELMNAGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090118318-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20090118318-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20090118318-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-1869046-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2007-12-26 EP disclosed
EP-1869044-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006107253-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-10-12 WO disclosed
WO-2006107252-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-10-12 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 (2 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-20090118318-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases CCR8, CCR1, CCR10 CCR8 1/4885KCNH2 3170/4885ALDH1A1 697/4885
US-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases CCR8, CCR1, CCRL2 CCR8 1/4885KCNH2 3095/4885ALDH1A1 798/4885

“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.