SCHEMBL4180214

SCHEMBL4180214

COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccc[n+]([O-])c2)CC3)c1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 13/20 0.83
KCNH2 Q12809 11/20 0.83
CYP2D6 P10635 3/20 0.52
CHRM2 P08172 3/20 0.52
CHRM3 P20309 3/20 0.52
TSHR P16473 1/20 0.52
USP2 O75604 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL4187120 0.91 CCR8 (1.00) CCR8KCNH2CYP2D6CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL4189677 0.86 CCR8 (0.91) CCR8KCNH2CYP2D6CHRM2CHRM3
SCHEMBL4187229 0.85 CCR8 (0.81) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL4186596 0.85 CCR8 (1.00) CCR8KCNH2CYP2D6TSHRALDH1A1
SCHEMBL2074538 0.84 CCR8 (0.82) CCR8KCNH2CYP2D6CHRM2CHRM3
SCHEMBL4234799 0.84 CCR8 (1.00) CCR8KCNH2CYP2D6CHRM2CHRM3
SCHEMBL5229889 0.83 CCR8 (0.74) CCR8KCNH2CYP2D6CHRM2CHRM3
SCHEMBL5225972 0.82 CCR8 (0.75) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL4236177 0.81 CCR8 (0.73) CCR8KCNH2CYP2D6CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL4187005 0.81 CCR8 (0.91) CCR8KCNH2CYP2D6TSHRUSP2

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-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-08-27 US claimed
EP-1869046-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2007-12-26 EP claimed
WO-2006107252-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-10-12 WO claimed
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
EP-1869046-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2007-12-26 EP 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 (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-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases CCR8, CCR1, CCRL2 CCR8 1/4885KCNH2 3095/4885CYP2D6 1375/4885

“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.