SCHEMBL5396135

SCHEMBL5396135

N#Cc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4OCc4ccccc4)CC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.59
TSHR P16473 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
CYP2C9 P11712 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 9/20 0.58
CCR8 P51685 6/20 0.58
KCNH2 Q12809 6/20 0.58
CYP3A4 P08684 5/20 0.57
CHRM2 P08172 1/20 0.55
CHRM3 P20309 1/20 0.55
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 2/20 0.52

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 SCHEMBL5431098 0.96 USP2 (0.54) USP2TSHRSMN1; SMN2CYP2C9CYP1A2
SCHEMBL5410754 0.90 CYP2D6 (0.57) USP2TSHRSMN1; SMN2CYP1A2CYP2D6
SCHEMBL5401949 0.89 CYP2D6 (0.63) USP2TSHRSMN1; SMN2CYP2C9CYP1A2
SCHEMBL5414081 0.87 CYP2D6 (0.64) USP2TSHRSMN1; SMN2CYP2D6CCR8
SCHEMBL5777549 0.87 CCR8 (0.59) USP2TSHRSMN1; SMN2CYP2D6CCR8
SCHEMBL5398771 0.87 CYP2D6 (0.64) USP2TSHRSMN1; SMN2CYP2D6CCR8
SCHEMBL5414730 0.87 CCR8 (0.75) USP2TSHRCYP2D6CCR8KCNH2
SCHEMBL5399234 0.87 CYP2D6 (0.63) USP2TSHRSMN1; SMN2CYP2D6CCR8
SCHEMBL5400189 0.87 CCR8 (0.71) USP2TSHRCYP2D6CCR8KCNH2
Trifluoroacetic Acid SCHEMBL5444783 0.86 CYP2D6 (0.55) USP2TSHRSMN1; SMN2CYP1A2CYP2D6

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 USP2 1826/4885TSHR 3697/4885SMN1; SMN2 656/4885

“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.