SCHEMBL4237183

SCHEMBL4237183

CC(=O)OC1CN(C(=O)c2ccccc2CC(=O)N2CCC2)CCC12CCN(Cc1cccc3c1OC(C)(C)C3)CC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 7/20 0.48
KCNH2 Q12809 7/20 0.48
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
SSTR5 P35346 1/20 0.34
CYP2D6 P10635 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4233179 0.85 CCR8 (0.61) CCR8KCNH2CYP2D6TSHRALDH1A1
Acetic Acid SCHEMBL4237179 0.84 CCR8 (0.59) CCR8KCNH2GAAMEN1KMT2A
SCHEMBL4235305 0.79 CCR8 (0.47) CCR8KCNH2MEN1KMT2A
SCHEMBL4237303 0.76 CCR8 (0.64) CCR8KCNH2SSTR5CYP2D6ALDH1A1
SCHEMBL13805605 0.76 CCR8 (0.61) CCR8KCNH2CYP2D6TSHRALDH1A1
SCHEMBL4241943 0.75 CCR8 (0.66) CCR8KCNH2CYP2D6ALDH1A1
SCHEMBL4241407 0.74 CCR8 (0.56) CCR8KCNH2SSTR5CYP2D6ALDH1A1
SCHEMBL4235569 0.74 CCR8 (0.47) CCR8KCNH2KMT2A
SCHEMBL5034222 0.74 CCR8 (0.61) CCR8KCNH2CYP2D6TSHRALDH1A1
SCHEMBL4243093 0.74 CCR8 (0.59) CCR8KCNH2CYP2D6ALDH1A1

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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
EP-1926730-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2008-06-04 EP disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 CCR8 1/4885KCNH2 3143/4885GAA 2480/4885

“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.