SCHEMBL5403173

SCHEMBL5403173

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)Cc1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.54
KCNH2 Q12809 2/20 0.54
TSHR P16473 6/20 0.50
USP2 O75604 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
HIF1A Q16665 1/20 0.47
CYP2D6 P10635 6/20 0.46
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
OPRK1 P41145 1/20 0.42

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 SCHEMBL5434923 0.98 CCR8 (0.52) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5395631 0.87 CCR8 (0.63) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5402105 0.85 CCR8 (0.58) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5431363 0.85 CCR8 (0.49) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5431108 0.85 CCR8 (0.54) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5436918 0.85 CCR8 (0.54) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5428335 0.85 CCR8 (0.52) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5394929 0.85 CCR8 (0.59) CCR8KCNH2TSHRUSP2ALDH1A1
Trifluoroacetic Acid SCHEMBL5428497 0.85 CCR8 (0.60) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5437718 0.85 CCR8 (0.53) CCR8KCNH2TSHRALDH1A1CYP3A4

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 2793/4885TSHR 3697/4885

“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.