Sugi Predict

Sugi Predict / Compounds / SCHEMBL409787

SCHEMBL409787

SCHEMBL409787

CCOC(=O)CN1CCN(CC(=O)OCC)CCN(C(CCCN2C(=O)c3ccccc3C2=O)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1673004 1.00 MAOB (0.44) MAOBDRD2DRD3ALDH1A1L3MBTL1
SCHEMBL14546658 0.97 MAOB (0.42) MAOBDRD2DRD3ALDH1A1L3MBTL1
SCHEMBL12342849 0.91 MAOB (0.39) MAOBDRD2DRD3ALDH1A1
SCHEMBL13349200 0.88 MAOB (0.45) MAOBDRD2DRD3ALDH1A1
SCHEMBL463685 0.85 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1672995 0.81 TDP1 (0.41) MAOBDRD2DRD3L3MBTL1
SCHEMBL409358 0.81 TDP1 (0.41) MAOBDRD2DRD3L3MBTL1
SCHEMBL4363846 0.80 MAOB (0.41) MAOBDRD2DRD3ALDH1A1
SCHEMBL410521 0.79 MAOB (0.47) MAOBDRD2DRD3ALDH1A1
SCHEMBL12732726 0.79 MAOB (0.47) MAOBDRD2DRD3ALDH1A1

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 9 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-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

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 3268/4885DRD2 3309/4885DRD3 3685/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR MAOB 1472/4885DRD2 3408/4885DRD3 3768/4885

“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.