SCHEMBL5437628

SCHEMBL5437628

CC(C)COc1ccccc1CN1CCC2(CCN(C(=O)c3ccccc3Cl)CC2)C1OC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.47
KCNH2 Q12809 4/20 0.47
CACNA1G O43497 6/20 0.38
CACNA1H O95180 5/20 0.38
CACNA1I Q9P0X4 5/20 0.38
EPHX2 P34913 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
HSD11B1 P28845 1/20 0.36
USP2 O75604 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL5436595 0.95 CCR8 (0.45) CCR8KCNH2CACNA1GCACNA1HCACNA1I
SCHEMBL5440223 0.95 CCR8 (0.45) CCR8KCNH2CACNA1GCACNA1HCACNA1I
SCHEMBL5437621 0.92 CCR8 (0.44) CCR8KCNH2CACNA1GCACNA1HCACNA1I
SCHEMBL5431101 0.89 CCR8 (0.46) CCR8KCNH2ALDH1A1
SCHEMBL5431626 0.89 CCR8 (0.46) CCR8KCNH2CACNA1GCACNA1HCACNA1I
SCHEMBL5432500 0.88 CCR8 (0.49) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5428092 0.88 CCR8 (0.45) CCR8KCNH2HSD11B1USP2TSHR
SCHEMBL5441579 0.88 CCR8 (0.43) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5428860 0.87 CCR8 (0.45) CCR8KCNH2EPHX2USP2TSHR
SCHEMBL5436908 0.86 CCR8 (0.53) 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 2793/4885CACNA1G 3463/4885

“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.