SCHEMBL5446348

SCHEMBL5446348

COc1cc(CC(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2OC(=O)C(F)(F)F)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CCR8 P51685 2/20 0.41
KCNH2 Q12809 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL5428336 0.94 CCR8 (0.44) MEN1KMT2ACCR8KCNH2KDM4E
SCHEMBL5429063 0.88 NPC1 (0.40) NPC1RAB9AMEN1KMT2ACCR8
SCHEMBL5434929 0.86 KCNH2 (0.44) MEN1KMT2ACCR8KCNH2USP2
SCHEMBL5433649 0.86 CCR8 (0.46) MEN1KMT2ACCR8KCNH2KDM4E
SCHEMBL5431110 0.85 CCR8 (0.46) CCR8KCNH2KDM4EALOX15USP2
SCHEMBL5436923 0.85 CCR8 (0.46) CCR8KCNH2KDM4EALOX15USP2
SCHEMBL5428448 0.85 CCR8 (0.46) CCR8KCNH2KDM4EALOX15USP2
SCHEMBL5428130 0.85 CCR8 (0.46) CCR8KCNH2KDM4EALOX15USP2
SCHEMBL5431367 0.85 KCNH2 (0.42) CCR8KCNH2KDM4E
SCHEMBL5436273 0.85 CCR8 (0.43) MEN1KMT2ACCR8KCNH2KDM4E

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 NPC1 372/4885RAB9A 1738/4885MEN1 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.