SCHEMBL5402866

SCHEMBL5402866

CCOc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccc3ccccc3c1)CC2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.64
USP2 O75604 3/20 0.64
CCR8 P51685 7/20 0.59
KCNH2 Q12809 7/20 0.59
CYP3A4 P08684 2/20 0.58
CHRM2 P08172 1/20 0.57
CHRM3 P20309 1/20 0.57
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.51

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 SCHEMBL5428508 0.94 TSHR (0.58) CYP2D6USP2CCR8KCNH2CYP3A4
SCHEMBL5401939 0.92 CYP2D6 (0.71) CYP2D6USP2CCR8KCNH2CYP3A4
SCHEMBL5400001 0.88 CYP2D6 (0.59) CYP2D6USP2CCR8KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL5442845 0.88 CYP2D6 (0.64) CYP2D6USP2CCR8KCNH2CYP3A4
SCHEMBL5394015 0.87 CYP2D6 (0.68) CYP2D6USP2CCR8KCNH2CYP3A4
SCHEMBL5413957 0.87 CCR8 (0.60) CYP2D6USP2CCR8KCNH2CYP3A4
SCHEMBL5404553 0.87 CYP2D6 (0.68) CYP2D6USP2CCR8KCNH2CYP3A4
SCHEMBL5390511 0.87 CYP2D6 (0.84) CYP2D6USP2CCR8KCNH2CYP3A4
SCHEMBL5392159 0.87 CYP2D6 (0.67) CYP2D6USP2CCR8KCNH2CYP3A4
SCHEMBL5401887 0.87 CYP2D6 (0.67) CYP2D6USP2CCR8KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US claimed
JP-2007509141-A 2007-04-12 JP claimed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP claimed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 WO claimed
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 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-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases CCR8, CCR1, CCR10 CYP2D6 1764/4885USP2 1826/4885CCR8 1/4885

“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.