SCHEMBL4234941

SCHEMBL4234941

Cc1cnccc1C(=O)N1CCC2(CCN(Cc3cccc4c3OC(C)(C)C4)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 15/20 0.66
KCNH2 Q12809 15/20 0.66
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP1A2 P05177 1/20 0.43
FABP6 P51161 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42

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 SCHEMBL4234461 0.95 CCR8 (0.61) CCR8KCNH2CYP3A4CYP2D6CYP1A2
SCHEMBL4238776 0.91 CCR8 (0.66) CCR8KCNH2CYP3A4CYP2D6CYP1A2
SCHEMBL4231051 0.90 CCR8 (0.73) CCR8KCNH2CYP3A4CYP2D6CYP1A2
SCHEMBL4241983 0.90 CCR8 (0.66) CCR8KCNH2CYP3A4CYP2D6CYP1A2
SCHEMBL4234579 0.89 CCR8 (0.73) CCR8KCNH2CYP3A4CYP2D6CYP1A2
SCHEMBL4234882 0.87 CCR8 (0.76) CCR8KCNH2CYP3A4CYP2D6TSHR
Trifluoroacetic Acid SCHEMBL4237219 0.86 CCR8 (0.67) CCR8KCNH2CYP3A4CYP2D6CYP1A2
Trifluoroacetic Acid SCHEMBL4235134 0.84 CCR8 (0.67) CCR8KCNH2CYP3A4CYP2D6CYP1A2
SCHEMBL4234467 0.84 CCR8 (0.49) CCR8KCNH2CYP3A4CYP2D6FABP6
SCHEMBL4229193 0.83 CCR8 (0.70) CCR8KCNH2CYP3A4CYP2D6

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 9 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
EP-1926730-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2008-06-04 EP claimed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 WO claimed
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
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
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 3143/4885CYP3A4 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.