SCHEMBL4237967

SCHEMBL4237967

CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(C(=O)c3ccccc3CCC(=O)OC(=O)C(F)(F)F)CC4)c2O1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 13/20 0.56
KCNH2 Q12809 13/20 0.56
USP2 O75604 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2D6 P10635 4/20 0.40
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP3A4 P08684 1/20 0.38
SSTR5 P35346 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 SCHEMBL4237963 0.89 CCR8 (0.59) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4239242 0.87 CCR8 (0.57) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4234755 0.87 CCR8 (0.62) CCR8KCNH2USP2CYP2D6ALDH1A1
SCHEMBL4233147 0.85 CCR8 (0.53) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4238918 0.83 CCR8 (0.57) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL13805605 0.83 CCR8 (0.61) CCR8KCNH2USP2TSHRCYP2D6
SCHEMBL4237303 0.82 CCR8 (0.64) CCR8KCNH2USP2CYP2D6ALDH1A1
Trifluoroacetic Acid SCHEMBL4230125 0.82 CCR8 (0.60) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4230130 0.81 CCR8 (0.58) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4238914 0.81 CCR8 (0.69) 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-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 3143/4885USP2 1086/4885

“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.