SCHEMBL2076736

SCHEMBL2076736

COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccc[nH]c2=O)CC3)c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 17/20 0.74
KCNH2 Q12809 11/20 0.74
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
MGLL Q99685 1/20 0.48

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
SCHEMBL4236177 0.87 CCR8 (0.73) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL5219133 0.85 CCR8 (0.71) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL2076183 0.85 CCR8 (1.00) CCR8KCNH2CYP2D6TSHR
SCHEMBL4234679 0.84 CCR8 (0.69) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL4233294 0.84 CCR8 (0.69) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL5197543 0.83 CCR8 (0.71) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL5225972 0.83 CCR8 (0.75) CCR8KCNH2CYP2D6TSHRMGLL
SCHEMBL2074538 0.81 CCR8 (0.82) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL4234799 0.81 CCR8 (1.00) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL5194031 0.81 CCR8 (0.72) CCR8KCNH2CHRM2CHRM3CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053969-A1 NOVEL DIAZASIPIROAKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2011-03-03 US claimed
EP-1869045-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2007-12-26 EP claimed
WO-2006107254-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-10-12 WO claimed
US-20110053969-A1 NOVEL DIAZASIPIROAKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2011-03-03 US disclosed
US-20110053969-A1 NOVEL DIAZASIPIROAKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2011-03-03 US disclosed
US-20110053969-A1 NOVEL DIAZASIPIROAKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2011-03-03 US disclosed
EP-1869045-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006107254-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-10-12 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-20110053969-A1 NOVEL DIAZASIPIROAKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR3 CCR8 1/4885KCNH2 3558/4885CHRM2 913/4885

“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.