SCHEMBL5402888

SCHEMBL5402888

O=C(c1ccc(Cl)cc1)N1CCC2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 7/20 0.84
KCNH2 Q12809 7/20 0.84
CYP2D6 P10635 6/20 0.71
TSHR P16473 4/20 0.71
CHRM2 P08172 4/20 0.68
CHRM3 P20309 4/20 0.68
CYP3A4 P08684 5/20 0.63
CYP2C19 P33261 1/20 0.63
CYP2C9 P11712 3/20 0.59
USP2 O75604 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 2/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HIF1A Q16665 1/20 0.57
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL5404851 0.94 CCR8 (0.74) CCR8KCNH2CYP2D6TSHRCHRM2
SCHEMBL5405464 0.88 CCR8 (0.76) CCR8KCNH2CYP2D6TSHRCHRM2
SCHEMBL14371976 0.86 CCR8 (1.00) CCR8KCNH2CYP2D6TSHRCHRM2
SCHEMBL5431975 0.84 CCR8 (0.87) CCR8KCNH2CHRM2CHRM3SMN1; SMN2
SCHEMBL5413903 0.83 CCR8 (0.74) CCR8KCNH2CYP2D6TSHRCHRM2
SCHEMBL5413803 0.83 CCR8 (0.82) CCR8KCNH2CYP2D6TSHRCHRM2
SCHEMBL5389997 0.82 CCR8 (0.68) CCR8KCNH2CYP2D6TSHRCHRM2
SCHEMBL5399648 0.82 CCR8 (0.68) CCR8KCNH2CYP2D6TSHRCHRM2
Trifluoroacetic Acid SCHEMBL5431137 0.82 CCR8 (0.91) CCR8KCNH2CYP2D6TSHRCHRM2
SCHEMBL5405381 0.81 CCR8 (0.87) CCR8KCNH2CYP2D6TSHRCHRM2

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 2793/4885CYP2D6 1764/4885

“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.