SCHEMBL4243058

SCHEMBL4243058

CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(C(=O)c3cc(CNOC(=O)C(F)(F)F)ccn3)CC4)c2O1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 15/20 0.59
KCNH2 Q12809 15/20 0.59
CYP3A4 P08684 3/20 0.41
USP2 O75604 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL4243056 0.85 CCR8 (0.64) CCR8KCNH2CYP3A4USP2MEN1
SCHEMBL4239397 0.85 CCR8 (0.70) CCR8KCNH2CYP3A4USP2CYP1A2
SCHEMBL5033902 0.82 CCR8 (0.70) CCR8KCNH2CYP3A4USP2CYP1A2
SCHEMBL4237911 0.82 CCR8 (0.70) CCR8KCNH2CYP3A4USP2CYP1A2
Trifluoroacetic Acid SCHEMBL4237131 0.82 CCR8 (0.70) CCR8KCNH2CYP3A4USP2MEN1
SCHEMBL5033901 0.82 CCR8 (0.69) CCR8KCNH2CYP3A4USP2CYP1A2
SCHEMBL4243566 0.82 CCR8 (0.77) CCR8KCNH2CYP3A4USP2CYP1A2
SCHEMBL4239199 0.79 CCR8 (0.56) CCR8KCNH2CYP3A4USP2CYP1A2
SCHEMBL4237436 0.79 CCR8 (0.57) CCR8KCNH2CYP3A4USP2CYP2D6
SCHEMBL4238918 0.78 CCR8 (0.57) CCR8KCNH2USP2KMT2ACYP2D6

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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 CCR8 1/4885KCNH2 3143/4885CYP3A4 3516/4885

“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.