SCHEMBL5396159

SCHEMBL5396159

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccncc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 11/20 1.00
KCNH2 Q12809 11/20 1.00
CYP2D6 P10635 8/20 0.76
CYP3A4 P08684 7/20 0.76
ALDH1A1 P00352 3/20 0.61
CYP2C9 P11712 2/20 0.61
CYP1A2 P05177 1/20 0.61
USP2 O75604 1/20 0.61
KDM4E B2RXH2 1/20 0.61
HTT P42858 1/20 0.61
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HIF1A Q16665 1/20 0.57

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
Hydrochloric Acid SCHEMBL5444699 0.99 CCR8 (0.98) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
SCHEMBL5405018 0.94 CCR8 (0.89) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
SCHEMBL5404996 0.93 CCR8 (0.87) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
SCHEMBL5410851 0.93 CCR8 (0.86) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
SCHEMBL5410880 0.91 CCR8 (0.84) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
SCHEMBL5390492 0.91 CCR8 (0.84) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL5434876 0.91 CCR8 (0.82) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
SCHEMBL5779488 0.90 CCR8 (0.82) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
SCHEMBL5402093 0.90 CCR8 (0.82) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
SCHEMBL5395617 0.90 CCR8 (0.81) CCR8KCNH2CYP2D6CYP3A4ALDH1A1

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 9 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
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
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.