SCHEMBL5404896

SCHEMBL5404896

O=C(c1ccc(Cl)cc1)N1CCC2(CCN(Cc3cccc(Oc4ccccn4)c3)CC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 8/20 0.78
KCNH2 Q12809 8/20 0.78
CHRM2 P08172 4/20 0.61
CHRM3 P20309 3/20 0.61
CYP2D6 P10635 2/20 0.57
TSHR P16473 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
FAAH O00519 5/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL5429059 0.95 CCR8 (0.73) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL5396008 0.87 CCR8 (0.71) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL5429066 0.85 CCR8 (0.57) CCR8KCNH2CHRM2CHRM3FAAH
SCHEMBL5413803 0.84 CCR8 (0.82) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL4234799 0.83 CCR8 (1.00) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL5394473 0.81 CCR8 (0.68) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL5431975 0.81 CCR8 (0.87) CCR8KCNH2CHRM2CHRM3FAAH
SCHEMBL5398712 0.81 CCR8 (0.73) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL5402888 0.80 CCR8 (0.84) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL5434727 0.79 CCR8 (0.73) CCR8KCNH2CHRM2CHRM3CYP2D6

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 2793/4885CHRM2 581/4885

“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.