SCHEMBL5433943

SCHEMBL5433943

CC(C)COc1ccccc1CN1CCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1OC(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 6/20 0.55
KCNH2 Q12809 6/20 0.55
USP2 O75604 5/20 0.45
TSHR P16473 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 6/20 0.42
HIF1A Q16665 1/20 0.42
CYP2D6 P10635 6/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 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
SCHEMBL5434828 0.94 CCR8 (0.52) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5436908 0.93 CCR8 (0.53) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5434958 0.92 CCR8 (0.49) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5432332 0.91 CCR8 (0.52) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5428109 0.91 CCR8 (0.52) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5437945 0.91 CCR8 (0.51) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5426515 0.90 CCR8 (0.51) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5434654 0.90 CCR8 (0.51) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5426600 0.89 CCR8 (0.50) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5428453 0.89 CCR8 (0.49) CCR8KCNH2USP2TSHRSMN1; SMN2

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 CCR8 1/4885KCNH2 2793/4885USP2 1826/4885

“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.