SCHEMBL4194050

SCHEMBL4194050

COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 12/20 0.69
CCR8 P51685 7/20 0.67
KCNH2 Q12809 7/20 0.67
TSHR P16473 3/20 0.64
USP2 O75604 4/20 0.58
CYP3A4 P08684 3/20 0.58
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL4234286 0.88 CCR8 (0.65) CYP2D6CCR8KCNH2TSHRUSP2
SCHEMBL5229766 0.86 CCR8 (0.74) CYP2D6CCR8KCNH2TSHRUSP2
SCHEMBL2074176 0.83 CCR8 (0.69) CYP2D6CCR8KCNH2USP2CYP3A4
Hydrochloric Acid SCHEMBL5307160 0.82 CCR8 (0.58) CYP2D6CCR8KCNH2TSHRUSP2
SCHEMBL2077078 0.80 CCR8 (1.00) CYP2D6CCR8KCNH2TSHRUSP2
SCHEMBL5775593 0.80 CYP2D6 (0.57) CYP2D6CCR8KCNH2TSHRUSP2
SCHEMBL4238747 0.80 CCR8 (0.73) CYP2D6CCR8KCNH2TSHRUSP2
SCHEMBL4229282 0.80 CCR8 (1.00) CYP2D6CCR8KCNH2TSHRUSP2
SCHEMBL5247234 0.80 CCR8 (0.73) CYP2D6CCR8KCNH2TSHRUSP2
SCHEMBL5255658 0.79 CCR8 (0.72) CYP2D6CCR8KCNH2TSHRUSP2

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-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090118318-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases ASTRAZENECA AB (SE) 2009-05-07 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 (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-20090118318-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases CCR8, CCR1, CCR10 CYP2D6 1669/4885CCR8 1/4885KCNH2 3170/4885
US-20090215807-A1 Novel Diazaspiroalkanes and Their Use for Treatment of CCR8 Mediated Diseases CCR8, CCR1, CCRL2 CYP2D6 1375/4885CCR8 1/4885KCNH2 3095/4885

“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.