SCHEMBL5399577

SCHEMBL5399577

COc1cc(Cl)ccc1C(=O)N1CCC2(CCN(Cc3ccccc3OCC(C)C)C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.58
KCNH2 Q12809 3/20 0.58
CYP2D6 P10635 13/20 0.52
TSHR P16473 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 11/20 0.51
ALDH1A1 P00352 4/20 0.51
USP2 O75604 3/20 0.51
CYP2C9 P11712 1/20 0.51
HIF1A Q16665 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
Trifluoroacetic Acid SCHEMBL5441571 0.95 CCR8 (0.53) CCR8KCNH2CYP2D6TSHRCYP1A2
SCHEMBL5392288 0.95 CCR8 (0.58) CCR8KCNH2CYP2D6TSHRCYP1A2
SCHEMBL5395583 0.91 CCR8 (0.60) CCR8KCNH2CYP2D6TSHRCYP1A2
Trifluoroacetic Acid SCHEMBL5437936 0.90 CCR8 (0.53) CCR8KCNH2CYP2D6TSHRCYP1A2
Trifluoroacetic Acid SCHEMBL5437616 0.87 CCR8 (0.55) CCR8KCNH2CYP2D6TSHRCYP1A2
SCHEMBL5397491 0.86 CCR8 (0.60) CCR8KCNH2CYP2D6TSHRCYP1A2
SCHEMBL5394543 0.86 CCR8 (0.72) CCR8KCNH2CYP2D6TSHRCYP1A2
SCHEMBL5399295 0.86 CCR8 (0.64) CCR8KCNH2CYP2D6TSHRCYP1A2
SCHEMBL5405459 0.85 CCR8 (0.59) CCR8KCNH2CYP2D6TSHRCYP1A2
SCHEMBL5392363 0.85 CCR8 (0.61) CCR8KCNH2CYP2D6TSHRCYP1A2

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.