SCHEMBL4359497

SCHEMBL4359497

CCOC(=O)CN1CCNCCN(CC(=O)O)Cc2cccc(n2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CXCR4 P61073 4/20 0.40
HIF1A Q16665 2/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BACE1 P56817 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL12342819 0.95 MEN1 (0.44) MEN1KMT2ACXCR4TSHRALOX15
SCHEMBL9213719 0.88 CXCR4 (0.49) CXCR4TSHRALDH1A1
SCHEMBL4362890 0.82 ALDH1A1 (0.45) MEN1KMT2ATSHRALOX15ALDH1A1
SCHEMBL21427272 0.82 CXCR4 (0.55) CXCR4ALDH1A1
SCHEMBL18911326 0.81 MEN1 (0.46) MEN1KMT2ATSHRALDH1A1
SCHEMBL9217160 0.80 LMNA (0.48) MEN1KMT2ATSHRALDH1A1
SCHEMBL12629018 0.80 KMT2A (0.44) MEN1KMT2ACXCR4ALDH1A1MAPT
SCHEMBL31365998 0.79 SIGMAR1 (0.43)
SCHEMBL4359522 0.78 BACE1 (0.39) MEN1KMT2ATSHRALOX15ALDH1A1
SCHEMBL9205301 0.78 EGLN1 (0.40) MEN1KMT2AALOX15ALDH1A1MAPT

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-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
EP-1885721-B1 METAL CHELATES OF POLYAMINOCARBOXYLIC MACROCYCLIC DERIVATIVES AND USE THEREOF IN DIAGNOSTIC IMAGING GUERBET SA (FR) 2009-07-29 EP 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 MEN1 941/4885KMT2A 1704/4885CXCR4 337/4885

“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.