SCHEMBL5405579

SCHEMBL5405579

COc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)C3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 14/20 0.73
CYP3A4 P08684 12/20 0.73
USP2 O75604 4/20 0.73
CCR8 P51685 4/20 0.70
KCNH2 Q12809 4/20 0.70
TSHR P16473 5/20 0.67
CYP1A2 P05177 4/20 0.61
HIF1A Q16665 1/20 0.61
ALDH1A1 P00352 2/20 0.60
CYP2C9 P11712 2/20 0.60
MAPK1 P28482 1/20 0.59
HPGD P15428 1/20 0.55

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 SCHEMBL5428094 0.95 CYP2D6 (0.67) CYP2D6CYP3A4USP2CCR8KCNH2
SCHEMBL5402122 0.94 CYP2D6 (0.71) CYP2D6CYP3A4USP2CCR8KCNH2
SCHEMBL5397483 0.92 CYP2D6 (0.63) CYP2D6CYP3A4USP2CCR8KCNH2
SCHEMBL5394048 0.92 CCR8 (0.69) CYP2D6CYP3A4USP2CCR8KCNH2
SCHEMBL5392208 0.91 CCR8 (0.73) CYP2D6CYP3A4USP2CCR8KCNH2
SCHEMBL5403346 0.91 CCR8 (0.73) CYP2D6CYP3A4USP2CCR8KCNH2
SCHEMBL5394910 0.90 CCR8 (0.65) CYP2D6CYP3A4USP2CCR8KCNH2
SCHEMBL5397112 0.90 CCR8 (0.67) CYP2D6CYP3A4USP2CCR8KCNH2
SCHEMBL5394543 0.90 CCR8 (0.72) CYP2D6CYP3A4USP2CCR8KCNH2
Trifluoroacetic Acid SCHEMBL5428583 0.90 CCR8 (0.64) CYP2D6CYP3A4USP2CCR8KCNH2

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 CYP2D6 1764/4885CYP3A4 3598/4885USP2 1826/4885

“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.