SCHEMBL4237694

SCHEMBL4237694

CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(C(=O)c3ccc5cccnc5n3)CC4)c2O1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 17/20 0.73
KCNH2 Q12809 17/20 0.73
DPP4 P27487 1/20 0.43
DPP9 Q86TI2 1/20 0.43
CYP2D6 P10635 1/20 0.42
CHRM2 P08172 1/20 0.41

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 SCHEMBL4242368 0.95 CCR8 (0.67) CCR8KCNH2DPP4DPP9CYP2D6
SCHEMBL4237544 0.85 CCR8 (0.77) CCR8KCNH2CYP2D6
SCHEMBL4233158 0.85 CCR8 (0.71) CCR8KCNH2CYP2D6
SCHEMBL4242372 0.85 CCR8 (0.54) CCR8KCNH2DPP4DPP9
SCHEMBL4243098 0.84 CCR8 (1.00) CCR8KCNH2CYP2D6
SCHEMBL4230112 0.84 CCR8 (0.82) CCR8KCNH2CYP2D6CHRM2
SCHEMBL4235585 0.83 CCR8 (0.74) CCR8KCNH2CYP2D6
SCHEMBL4234643 0.83 CCR8 (0.79) CCR8KCNH2CYP2D6CHRM2
SCHEMBL5033902 0.83 CCR8 (0.70) CCR8KCNH2CYP2D6CHRM2
SCHEMBL4237911 0.83 CCR8 (0.70) CCR8KCNH2CYP2D6

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 2 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 claimed
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 3143/4885DPP4 1123/4885

“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.