SCHEMBL4363846

SCHEMBL4363846

CCOC(=O)CN1CCN(C(CCCN2C(=O)c3ccccc3C2=O)C(=O)O)CCN(CC(=O)OCC)Cc2cccc(n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
DRD2 P14416 6/20 0.41
DRD3 P35462 5/20 0.41
ALDH1A1 P00352 4/20 0.39
HTR1A P08908 3/20 0.39
HTR7 P34969 2/20 0.39
HTR2A P28223 1/20 0.39
HTR6 P50406 1/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 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
SCHEMBL12342849 0.91 MAOB (0.39) MAOBDRD2DRD3ALDH1A1HTR1A
SCHEMBL4360997 0.85 BACE1 (0.37) ALDH1A1HTR1AMEN1KMT2ALMNA
SCHEMBL4374792 0.82 BACE1 (0.38) ALDH1A1HTR1AMEN1KMT2ALMNA
SCHEMBL13349200 0.81 MAOB (0.45) MAOBDRD2DRD3ALDH1A1HTR1A
SCHEMBL4359522 0.80 BACE1 (0.39) ALDH1A1HTR1AMAPTHTTMEN1
SCHEMBL409787 0.80 MAOB (0.44) MAOBDRD2DRD3ALDH1A1
SCHEMBL1673004 0.80 MAOB (0.44) MAOBDRD2DRD3ALDH1A1
SCHEMBL14546793 0.79 BACE1 (0.39) ALDH1A1HTR1AMEN1KMT2ALMNA
SCHEMBL12342853 0.79 MEN1 (0.37) ALDH1A1HTR1AMAPTMEN1KMT2A
SCHEMBL14546658 0.78 MAOB (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 US disclosed
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 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 (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-20090214441-A1 Lipophilic Chelates and Their Use in Imaging SLC40A1, TSPO, SLC47A2 MAOB 3436/4885DRD2 1937/4885DRD3 1711/4885

“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.