SCHEMBL5399640

SCHEMBL5399640

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.60
KCNH2 Q12809 4/20 0.60
MAPT P10636 2/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FAAH O00519 5/20 0.50
CYP2D6 P10635 4/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5397499 0.93 KCNH2 (0.61) CCR8KCNH2TSHRSMN1; SMN2FAAH
SCHEMBL5390876 0.90 CCR8 (0.61) CCR8KCNH2MAPTTSHRRAB9A
SCHEMBL5390880 0.90 CCR8 (0.62) CCR8KCNH2MAPTTSHRKDM4E
SCHEMBL5402897 0.90 CCR8 (0.67) CCR8KCNH2TSHRFAAHCYP2D6
SCHEMBL5431216 0.90 KCNH2 (0.60) CCR8KCNH2MAPTTSHRNPC1
SCHEMBL5413915 0.88 CCR8 (0.62) CCR8KCNH2TSHRSMN1; SMN2FAAH
SCHEMBL5403284 0.87 CYP2D6 (0.60) CCR8KCNH2TSHRSMN1; SMN2MAPK1
SCHEMBL5399489 0.86 CCR8 (0.62) CCR8KCNH2TSHRSMN1; SMN2FAAH
SCHEMBL5428949 0.86 CCR8 (0.62) CCR8KCNH2TSHRNPC1RAB9A
SCHEMBL5437964 0.86 CCR8 (0.58) CCR8KCNH2MAPTTSHRMAPK1

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 2793/4885MAPT 4197/4885

“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.