SCHEMBL5446342

SCHEMBL5446342

COc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2OC(=O)C(F)(F)F)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
CCR8 P51685 2/20 0.46
CYP2D6 P10635 8/20 0.43
USP2 O75604 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL5437942 0.92 KCNH2 (0.45) KCNH2CCR8CYP2D6USP2TSHR
SCHEMBL5446121 0.91 CCR8 (0.44) KCNH2CCR8CYP2D6USP2TSHR
SCHEMBL5428586 0.89 KCNH2 (0.52) KCNH2CCR8CYP2D6USP2MEN1
SCHEMBL5437680 0.89 KCNH2 (0.47) KCNH2CCR8CYP2D6USP2MEN1
SCHEMBL5434088 0.89 KCNH2 (0.48) KCNH2CCR8CYP2D6USP2MEN1
SCHEMBL5428388 0.88 CCR8 (0.47) KCNH2CCR8CYP2D6USP2MEN1
SCHEMBL5426196 0.87 CCR8 (0.46) KCNH2CCR8CYP2D6USP2TSHR
SCHEMBL5425262 0.86 KCNH2 (0.46) KCNH2CCR8CYP2D6USP2TSHR
SCHEMBL5441560 0.86 CCR8 (0.49) KCNH2CCR8CYP2D6USP2MEN1
SCHEMBL5425778 0.85 CCR8 (0.46) KCNH2CCR8CYP2D6USP2TSHR

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-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 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-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases CCR8, CCR1, CCR10 KCNH2 2793/4885CCR8 1/4885CYP2D6 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.