SCHEMBL5400396

SCHEMBL5400396

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C2

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 9/20 0.68
KCNH2 Q12809 9/20 0.68
CYP2D6 P10635 9/20 0.53
USP2 O75604 3/20 0.53
CYP3A4 P08684 6/20 0.51
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.47

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 SCHEMBL5428487 0.95 CCR8 (0.62) CCR8KCNH2CYP2D6USP2CYP3A4
SCHEMBL5405362 0.95 CCR8 (0.68) CCR8KCNH2CYP2D6USP2CYP3A4
Trifluoroacetic Acid SCHEMBL5434649 0.90 CCR8 (0.62) CCR8KCNH2CYP2D6USP2CYP3A4
SCHEMBL5402026 0.89 CCR8 (0.73) CCR8KCNH2CYP2D6USP2CYP3A4
SCHEMBL5397396 0.89 CCR8 (0.73) CCR8KCNH2CYP2D6USP2CYP3A4
SCHEMBL5404965 0.88 CCR8 (0.72) CCR8KCNH2CYP2D6USP2CYP3A4
SCHEMBL5396042 0.88 CCR8 (0.56) CCR8KCNH2CYP2D6CYP3A4TSHR
SCHEMBL5413974 0.87 CCR8 (0.70) CCR8KCNH2CYP2D6USP2CYP3A4
SCHEMBL5402122 0.87 CYP2D6 (0.71) CCR8KCNH2CYP2D6USP2CYP3A4
SCHEMBL5405018 0.87 CCR8 (0.89) CCR8KCNH2CYP2D6USP2CYP3A4

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 2793/4885CYP2D6 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.