SCHEMBL4230558

SCHEMBL4230558

CC1(C)Cc2cccc(CN3CCC4(CCN(C(=O)c5ccoc5)CC4)C(OC(=O)C(F)(F)F)C3)c2O1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 9/20 0.48
KCNH2 Q12809 9/20 0.48
USP2 O75604 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP2D6 P10635 3/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.34
SSTR5 P35346 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) CCR8KCNH2USP2TSHRCYP2D6
SCHEMBL4234930 0.88 CCR8 (0.51) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4234515 0.87 CCR8 (0.49) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4234983 0.85 CCR8 (0.51) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4235418 0.85 CCR8 (0.48) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4230556 0.84 CCR8 (0.60) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4233038 0.83 CCR8 (0.51) CCR8KCNH2USP2TSHRCYP2D6
SCHEMBL4237873 0.83 CCR8 (0.52) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4239411 0.83 CCR8 (0.65) CCR8KCNH2USP2CYP2D6ALDH1A1
SCHEMBL4234467 0.83 CCR8 (0.49) CCR8KCNH2CYP2D6CYP3A4

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 3143/4885USP2 1086/4885

“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.