SCHEMBL2817557

SCHEMBL2817557

CCOC(=O)CN1CCN(Cc2cccc(C(=O)OCC)n2)CCN(Cc2cccc(C(=O)OCC)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
MAPT P10636 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.42
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
GAA P10253 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2822250 0.85 CYP1A2 (0.55) CYP1A2MAPTKDM4EALDH1A1LMNA
SCHEMBL26088149 0.84 CXCR4 (0.41) CYP1A2MAPTKDM4EALDH1A1HTR1A
SCHEMBL31186040 0.79 CYP1A2 (0.56) CYP1A2MAPTKDM4EALDH1A1LMNA
SCHEMBL9278258 0.78 BCHE (0.49) ALDH1A1LMNABCHEACHEMEN1
SCHEMBL14825497 0.77 CYP1A2 (0.45) CYP1A2MAPTKDM4EALDH1A1LMNA
SCHEMBL14825808 0.77 CYP1A2 (0.45) CYP1A2MAPTKDM4EALDH1A1BCHE
SCHEMBL14825846 0.77 OPRD1 (0.51) CYP1A2MAPTKDM4EALDH1A1LMNA
SCHEMBL14825481 0.77 CYP1A2 (0.44) CYP1A2MAPTKDM4EALDH1A1LMNA
SCHEMBL22304487 0.76 CYP1A2 (0.52) CYP1A2MAPTKDM4EALDH1A1LMNA
SCHEMBL23790290 0.76 CYP1A2 (0.44) CYP1A2MAPTALDH1A1LMNABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976850-B1 NOVEL LANTHANIDE LIGANDS AND COMPLEXES, AND USE THEREOF AS CONTRAST AGENTS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2012-08-15 EP disclosed
US-20100247448-A1 NOVEL LANTHANIDE LIGANDS AND COMPLEXES, AND USE THEREOF AS CONTRAST AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-09-30 US disclosed
EP-1976850-A1 NOVEL LANTHANIDE LIGANDS AND COMPLEXES, AND USE THEREOF AS CONTRAST AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-10-08 EP disclosed
WO-2007083036-A1 NOVEL LANTHANIDE LIGANDS AND COMPLEXES, AND USE THEREOF AS CONTRAST AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-07-26 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-20100247448-A1 NOVEL LANTHANIDE LIGANDS AND COMPLEXES, AND USE THEREOF AS CONTRAST AGENTS SLC39A11, LPO, ZYX CYP1A2 1790/4885MAPT 4780/4885KDM4E 4381/4885

“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.