SCHEMBL5404899

SCHEMBL5404899

CC(C)COc1ccccc1CN1CCC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 15/20 0.59
CYP3A4 P08684 10/20 0.59
CYP1A2 P05177 5/20 0.59
USP2 O75604 6/20 0.56
CYP2C19 P33261 3/20 0.56
CYP2C9 P11712 2/20 0.56
TSHR P16473 6/20 0.53
CCR8 P51685 2/20 0.49
KCNH2 Q12809 2/20 0.49
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5400349 0.95 CYP2D6 (0.67) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL5399621 0.94 CYP2D6 (0.54) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL5402044 0.92 CYP2D6 (0.63) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL5390868 0.91 CYP2D6 (0.60) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL5402937 0.84 CYP2D6 (0.63) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL5395108 0.83 CYP2D6 (0.74) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL5401952 0.81 CYP2D6 (0.68) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL5398887 0.80 CYP2D6 (0.61) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL5398815 0.80 CYP2D6 (0.63) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL5405400 0.80 CCR8 (0.68) CYP2D6CYP3A4CYP1A2USP2CYP2C9

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 1764/4885CYP3A4 3598/4885CYP1A2 3006/4885

“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.