SCHEMBL4234467

SCHEMBL4234467

Cc1cnccc1C(=O)N1CCC2(CCN(Cc3cccc4c3OC(C)(C)C4)CC2OC(=O)C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 14/20 0.49
KCNH2 Q12809 14/20 0.49
NAMPT P43490 2/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
FABP6 P51161 1/20 0.34

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
SCHEMBL4234522 0.90 CCR8 (0.54) CCR8KCNH2CYP3A4CYP2D6
SCHEMBL4235418 0.87 CCR8 (0.48) CCR8KCNH2NAMPTCYP3A4CYP2D6
SCHEMBL4233184 0.86 CCR8 (0.53) CCR8KCNH2NAMPTCYP3A4CYP2D6
SCHEMBL4234983 0.86 CCR8 (0.51) CCR8KCNH2CYP3A4CYP2D6
SCHEMBL4234930 0.85 CCR8 (0.51) CCR8KCNH2NAMPTCYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4234461 0.85 CCR8 (0.61) CCR8KCNH2CYP3A4CYP2D6
SCHEMBL4234515 0.84 CCR8 (0.49) CCR8KCNH2CYP3A4CYP2D6
SCHEMBL4234941 0.84 CCR8 (0.66) CCR8KCNH2CYP3A4CYP2D6FABP6
SCHEMBL4230558 0.83 CCR8 (0.48) CCR8KCNH2CYP3A4CYP2D6
SCHEMBL4237649 0.83 CCR8 (0.45) CCR8KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US 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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 CCR8 1/4885KCNH2 3143/4885NAMPT 4494/4885

“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.