SCHEMBL5434870

SCHEMBL5434870

CCOc1ccccc1CN1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C(OC(=O)C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.46
USP2 O75604 4/20 0.46
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CCR8 P51685 7/20 0.44
KCNH2 Q12809 7/20 0.44
CYP3A4 P08684 4/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.42
HIF1A Q16665 1/20 0.41

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
SCHEMBL5434738 0.92 CCR8 (0.55) CYP2D6USP2TSHRSMN1; SMN2CCR8
SCHEMBL5435013 0.91 CYP2D6 (0.50) CYP2D6USP2TSHRSMN1; SMN2CCR8
SCHEMBL5437760 0.90 CYP2D6 (0.49) CYP2D6USP2TSHRSMN1; SMN2CCR8
SCHEMBL5437443 0.89 USP2 (0.53) CYP2D6USP2TSHRSMN1; SMN2CCR8
SCHEMBL5431202 0.89 CYP2D6 (0.49) CYP2D6USP2TSHRSMN1; SMN2CCR8
SCHEMBL5426508 0.88 CYP2D6 (0.61) CYP2D6USP2TSHRSMN1; SMN2CCR8
SCHEMBL5428472 0.88 CCR8 (0.51) CYP2D6USP2TSHRSMN1; SMN2CCR8
SCHEMBL5436931 0.88 USP2 (0.49) CYP2D6USP2TSHRSMN1; SMN2CCR8
SCHEMBL5438311 0.86 CYP2D6 (0.50) CYP2D6USP2TSHRSMN1; SMN2CCR8
SCHEMBL5428512 0.86 USP2 (0.48) CYP2D6USP2TSHRSMN1; SMN2CCR8

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 3 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 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 1826/4885TSHR 3697/4885

“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.