SCHEMBL5432500

SCHEMBL5432500

CC(C)COc1ccccc1CN1CCC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1OC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.49
KCNH2 Q12809 3/20 0.49
HTR1A P08908 12/20 0.44
ADRA1A P35348 6/20 0.44
DRD2 P14416 5/20 0.44
USP2 O75604 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MGLL Q99685 1/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL5428453 0.90 CCR8 (0.49) CCR8KCNH2HTR1AUSP2TSHR
SCHEMBL5431987 0.89 CCR8 (0.49) CCR8KCNH2HTR1AADRA1ADRD2
SCHEMBL5436908 0.89 CCR8 (0.53) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5433943 0.88 CCR8 (0.55) CCR8KCNH2HTR1AADRA1AUSP2
SCHEMBL5437628 0.88 CCR8 (0.47) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5434958 0.88 CCR8 (0.49) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5432332 0.88 CCR8 (0.52) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5428109 0.88 CCR8 (0.52) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5434828 0.88 CCR8 (0.52) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5780410 0.87 CCR8 (0.47) 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 3 patents. 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
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 WO 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 2793/4885HTR1A 2685/4885

“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.