SCHEMBL5403284

SCHEMBL5403284

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)Nc1cccc(C#N)c1)CC2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.60
HSD17B10 Q99714 1/20 0.60
HIF1A Q16665 1/20 0.59
MAPK1 P28482 5/20 0.59
CCR8 P51685 2/20 0.57
KCNH2 Q12809 2/20 0.57
ALDH1A1 P00352 6/20 0.56
CYP3A4 P08684 7/20 0.54
USP2 O75604 6/20 0.54
CYP1A2 P05177 4/20 0.54
TSHR P16473 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 2/20 0.51
FAAH O00519 1/20 0.49

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
SCHEMBL5390876 0.88 CCR8 (0.61) CYP2D6CCR8KCNH2ALDH1A1USP2
SCHEMBL5402897 0.88 CCR8 (0.67) CYP2D6CCR8KCNH2CYP3A4USP2
SCHEMBL5399640 0.87 CCR8 (0.60) CYP2D6MAPK1CCR8KCNH2ALDH1A1
SCHEMBL5437957 0.85 CCR8 (0.70) CYP2D6CCR8KCNH2ALDH1A1CYP3A4
SCHEMBL5431216 0.84 KCNH2 (0.60) CYP2D6CCR8KCNH2CYP3A4USP2
SCHEMBL5437964 0.84 CCR8 (0.58) CYP2D6HSD17B10MAPK1CCR8KCNH2
SCHEMBL5397499 0.84 KCNH2 (0.61) CYP2D6CCR8KCNH2ALDH1A1CYP3A4
SCHEMBL5402007 0.83 CCR8 (0.64) CYP2D6CCR8KCNH2ALDH1A1CYP3A4
SCHEMBL5390880 0.83 CCR8 (0.62) CYP2D6CCR8KCNH2ALDH1A1CYP3A4
SCHEMBL5428949 0.83 CCR8 (0.62) CYP2D6CCR8KCNH2CYP3A4USP2

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 1764/4885HSD17B10 2656/4885HIF1A 1920/4885

“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.