SCHEMBL4237649

SCHEMBL4237649

CC1(C)Cc2cccc(CN3CCC4(CCN(C(=O)c5c[nH]c6ccccc56)CC4)C(OC(=O)C(F)(F)F)C3)c2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.45
KCNH2 Q12809 5/20 0.45
AVPR1A P37288 1/20 0.41
HTT P42858 2/20 0.40
MAPK14 Q16539 1/20 0.40
CCR5 P51681 1/20 0.40
TPSAB1 Q15661 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KMT2A Q03164 2/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
EIF4A3 P38919 1/20 0.34

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
SCHEMBL4230120 0.88 CCR8 (0.49) CCR8KCNH2DRD2DRD3KMT2A
SCHEMBL4239552 0.85 CCR8 (0.47) CCR8KCNH2DRD2DRD3
Trifluoroacetic Acid SCHEMBL4237645 0.85 CCR8 (0.56) CCR8KCNH2AVPR1AHTTMAPK14
SCHEMBL4242413 0.84 CCR8 (0.61) CCR8KCNH2AVPR1AHTTMAPK14
SCHEMBL4234515 0.84 CCR8 (0.49) CCR8KCNH2DRD2SMN1; SMN2ALDH1A1
SCHEMBL4234522 0.84 CCR8 (0.54) CCR8KCNH2HTTALDH1A1KDM4E
SCHEMBL4235418 0.83 CCR8 (0.48) CCR8KCNH2DRD2SMN1; SMN2ALDH1A1
SCHEMBL4234467 0.83 CCR8 (0.49) CCR8KCNH2
SCHEMBL4234983 0.82 CCR8 (0.51) CCR8KCNH2DRD2SMN1; SMN2ALDH1A1
SCHEMBL4230558 0.82 CCR8 (0.48) CCR8KCNH2DRD2KMT2ASMN1; 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 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 3143/4885AVPR1A 3268/4885

“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.