SCHEMBL5390876

SCHEMBL5390876

Cc1cccc(NC(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.61
KCNH2 Q12809 3/20 0.61
FAAH O00519 5/20 0.51
CYP2D6 P10635 6/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
NLRP3 Q96P20 1/20 0.48
TSHR P16473 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.47
S1PR2 O95136 1/20 0.47
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL5402897 0.91 CCR8 (0.67) CCR8KCNH2FAAHCYP2D6TSHR
SCHEMBL5399640 0.90 CCR8 (0.60) CCR8KCNH2FAAHCYP2D6SMN1; SMN2
SCHEMBL5402007 0.90 CCR8 (0.64) CCR8KCNH2FAAHCYP2D6TSHR
SCHEMBL5437964 0.88 CCR8 (0.58) CCR8KCNH2FAAHCYP2D6TSHR
SCHEMBL5403284 0.88 CYP2D6 (0.60) CCR8KCNH2FAAHCYP2D6SMN1; SMN2
SCHEMBL5431216 0.87 KCNH2 (0.60) CCR8KCNH2FAAHCYP2D6TSHR
SCHEMBL5397499 0.86 KCNH2 (0.61) CCR8KCNH2FAAHCYP2D6SMN1; SMN2
SCHEMBL5428949 0.85 CCR8 (0.62) CCR8KCNH2FAAHCYP2D6TSHR
SCHEMBL5390880 0.85 CCR8 (0.62) CCR8KCNH2FAAHCYP2D6TSHR
SCHEMBL5413915 0.85 CCR8 (0.62) CCR8KCNH2FAAHCYP2D6SMN1; SMN2

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 2793/4885FAAH 804/4885

“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.