SCHEMBL4233085

SCHEMBL4233085

O=C(O)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 10/20 0.74
KCNH2 Q12809 10/20 0.74
CYP2D6 P10635 10/20 0.61
TSHR P16473 2/20 0.61
USP2 O75604 2/20 0.57
CYP3A4 P08684 3/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL5229766 0.87 CCR8 (0.74) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL4234286 0.85 CCR8 (0.65) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL5394977 0.85 CCR8 (1.00) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL14371976 0.84 CCR8 (1.00) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL4234326 0.84 CCR8 (0.70) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL13855081 0.82 CYP2D6 (0.72) CCR8KCNH2CYP2D6TSHRUSP2
Hydrochloric Acid SCHEMBL4239051 0.81 CYP2D6 (0.70) CCR8KCNH2CYP2D6TSHRUSP2
Trifluoroacetic Acid SCHEMBL5431137 0.80 CCR8 (0.91) CCR8KCNH2CYP2D6TSHRUSP2
Hydrochloric Acid SCHEMBL5307160 0.80 CCR8 (0.58) CCR8KCNH2CYP2D6TSHRUSP2
Hydrochloric Acid SCHEMBL5436130 0.80 CCR8 (0.57) CCR8KCNH2CYP2D6TSHRUSP2

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-20090118318-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-05-07 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-20090118318-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases CCR8, CCR1, CCR10 CCR8 1/4885KCNH2 3170/4885CYP2D6 1669/4885

“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.