SCHEMBL5432010

SCHEMBL5432010

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1cccc3ccccc13)C2OC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.47
KCNH2 Q12809 3/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
DRD4 P21917 1/20 0.38
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 2/20 0.37
LMNA P02545 1/20 0.36
CYP2D6 P10635 3/20 0.36
NR1D1 P20393 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL5429242 0.89 CCR8 (0.47) CCR8KCNH2MEN1KMT2AKDM4E
SCHEMBL5441560 0.89 CCR8 (0.49) CCR8KCNH2MEN1KMT2ATSHR
SCHEMBL5432057 0.89 CCR8 (0.47) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5431245 0.89 CCR8 (0.47) CCR8KCNH2ALDH1A1TSHRUSP2
SCHEMBL5428388 0.89 CCR8 (0.47) CCR8KCNH2MEN1KMT2AKDM4E
SCHEMBL5428450 0.87 CCR8 (0.47) CCR8KCNH2KDM4EALDH1A1TSHR
SCHEMBL5428084 0.86 CCR8 (0.49) CCR8KCNH2MEN1KMT2AALDH1A1
SCHEMBL5431101 0.86 CCR8 (0.46) CCR8KCNH2MEN1KMT2AKDM4E
SCHEMBL5425805 0.85 CCR8 (0.47) CCR8KCNH2MEN1KMT2AALDH1A1
SCHEMBL5434103 0.85 CCR8 (0.53) CCR8KCNH2ALDH1A1TSHRUSP2

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 CCR8 1/4885KCNH2 2793/4885MEN1 3750/4885

“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.