SCHEMBL2074538

SCHEMBL2074538

COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccncc2)CC3)c1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 12/20 0.82
KCNH2 Q12809 11/20 0.82
CYP2D6 P10635 6/20 0.68
CYP3A4 P08684 5/20 0.68
TSHR P16473 3/20 0.64
CYP2C19 P33261 1/20 0.64
CYP2C9 P11712 2/20 0.63
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
CHRM2 P08172 1/20 0.57
CHRM3 P20309 1/20 0.57
USP2 O75604 1/20 0.57

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
SCHEMBL5229889 0.91 CCR8 (0.74) CCR8KCNH2CYP2D6CYP3A4TSHR
SCHEMBL4234799 0.90 CCR8 (1.00) CCR8KCNH2CYP2D6CYP3A4TSHR
SCHEMBL4187120 0.88 CCR8 (1.00) CCR8KCNH2CYP2D6CYP3A4TSHR
SCHEMBL5194031 0.88 CCR8 (0.72) CCR8KCNH2CYP2D6CYP3A4CHRM2
SCHEMBL4233922 0.87 CCR8 (0.78) CCR8KCNH2CYP2D6TSHRMEN1
SCHEMBL5225972 0.86 CCR8 (0.75) CCR8KCNH2CYP2D6CYP3A4TSHR
SCHEMBL4236177 0.85 CCR8 (0.73) CCR8KCNH2CYP2D6TSHRCHRM2
SCHEMBL5197543 0.85 CCR8 (0.71) CCR8KCNH2CYP2D6CYP3A4TSHR
SCHEMBL4180214 0.84 CCR8 (0.83) CCR8KCNH2CYP2D6TSHRCHRM2
Trifluoroacetic Acid SCHEMBL4189677 0.84 CCR8 (0.91) CCR8KCNH2CYP2D6CYP3A4TSHR

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 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
US-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-08-27 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 (2 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 3558/4885CYP2D6 1200/4885
US-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases CCR8, CCR1, CCRL2 CCR8 1/4885KCNH2 3095/4885CYP2D6 1375/4885

“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.