SCHEMBL409360

SCHEMBL409360

CC(C)(C)OC(=O)C(CCCN1C(=O)c2ccccc2C1=O)N1CCNCCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
ACHE P22303 1/20 0.39
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HTR1A P08908 2/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX12 P18054 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL12732726 0.84 MAOB (0.47) MAOBDRD2DRD3ALDH1A1HTR1A
SCHEMBL18752822 0.84 MAOB (0.47) MAOBDRD2DRD3ALDH1A1HTR1A
SCHEMBL410521 0.84 MAOB (0.47) MAOBDRD2DRD3ALDH1A1HTR1A
SCHEMBL409358 0.83 TDP1 (0.41) MAOBACHEDRD2DRD3TDP1
SCHEMBL1672995 0.83 TDP1 (0.41) MAOBACHEDRD2DRD3TDP1
SCHEMBL18918957 0.78 MMP2 (0.46) MMP2MMP3MMP9MMP13KMT2A
SCHEMBL463739 0.78 MAOB (0.41) MAOBDRD2DRD3ALDH1A1HTR1A
SCHEMBL5031610 0.76 MMP2 (0.44) MMP2MMP3MMP9MMP13TDP1
SCHEMBL442293 0.76 MMP2 (0.44) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL18752994 0.76 MAOB (0.49) MAOBACHEDRD2DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940841-B9 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2017-04-19 EP disclosed
EP-1940841-B1 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2016-12-07 EP disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 US disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 US disclosed
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 US disclosed
WO-2007042504-A2 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET (FR) 2007-04-19 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 (2 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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium KLK3, IGF1R, GIPR MAOB 3268/4885ACHE 3653/4885DRD2 3309/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR MAOB 1472/4885ACHE 4530/4885DRD2 3408/4885

“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.