SCHEMBL4182586

SCHEMBL4182586

COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1cccc[n+]1[O-])CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 9/20 1.00
KCNH2 Q12809 9/20 1.00
CYP2D6 P10635 10/20 0.59
TSHR P16473 2/20 0.59
USP2 O75604 3/20 0.58
CYP3A4 P08684 2/20 0.58
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL4177993 0.86 CCR8 (1.00) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL4186596 0.85 CCR8 (1.00) CCR8KCNH2CYP2D6TSHRALDH1A1
SCHEMBL4187229 0.83 CCR8 (0.81) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL5229766 0.82 CCR8 (0.74) CCR8KCNH2CYP2D6TSHRUSP2
Trifluoroacetic Acid SCHEMBL4187005 0.81 CCR8 (0.91) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL2077078 0.81 CCR8 (1.00) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL4229282 0.80 CCR8 (1.00) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL4238747 0.80 CCR8 (0.73) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL5247234 0.80 CCR8 (0.73) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL5255658 0.79 CCR8 (0.72) CCR8KCNH2CYP2D6TSHRUSP2

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-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-08-27 US claimed
EP-1869046-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2007-12-26 EP claimed
WO-2006107252-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-10-12 WO claimed
WO-2013131010-A2 FUNCTION OF CHEMOKINE RECEPTOR CCR8 IN MELANOMA METASTASIS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2013-09-06 WO 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-1869046-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006107252-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-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.