SCHEMBL5446121

SCHEMBL5446121

COc1cc(SC)ccc1C(=O)N1CCC2(CCN(Cc3ccccc3OCC(C)C)CC2)C1OC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.44
KCNH2 Q12809 2/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 5/20 0.41
USP2 O75604 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2D6 P10635 8/20 0.39
HPGD P15428 2/20 0.39
NLRP3 Q96P20 1/20 0.39
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5446342 0.91 KCNH2 (0.46) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5437942 0.90 KCNH2 (0.45) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5428388 0.86 CCR8 (0.47) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5426196 0.85 CCR8 (0.46) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5425262 0.84 KCNH2 (0.46) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5441560 0.84 CCR8 (0.49) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5425778 0.84 CCR8 (0.46) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5428586 0.83 KCNH2 (0.52) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5434109 0.83 CCR8 (0.46) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5434088 0.83 KCNH2 (0.48) CCR8KCNH2TSHRUSP2SMN1; 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 2793/4885GAA 2459/4885

“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.