SCHEMBL4366967

SCHEMBL4366967

NCCCC(C(=O)O)N1CCN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.36
SLC6A9 P48067 6/20 0.36
PLAU P00749 2/20 0.35
PLAUR Q03405 2/20 0.35
ACE P12821 1/20 0.34
FOLH1 Q04609 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNA1C Q13936 1/20 0.32
LMNA P02545 1/20 0.32
TACR1 P25103 1/20 0.31

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
SCHEMBL4372295 0.90 ALB (0.38) ALBSLC6A9FOLH1CACNA2D1CACNA1B
SCHEMBL4369094 0.87 ALB (0.39) ALBSLC6A9FOLH1CACNA2D1CACNA1B
SCHEMBL4359589 0.84 SLC6A9 (0.39) ALBSLC6A9LMNATACR1
SCHEMBL1673149 0.83 SLC6A9 (0.39) ALBSLC6A9FOLH1CACNA2D1CACNA1B
SCHEMBL4368905 0.83 ALB (0.40) ALBSLC6A9ACELMNA
SCHEMBL18709168 0.82 SLC6A9 (0.37) ALBSLC6A9FOLH1EGLN1CACNA2D1
SCHEMBL1673011 0.81 SLC6A9 (0.40) ALBSLC6A9PLAUPLAURFOLH1
SCHEMBL410472 0.81 SLC6A9 (0.40) ALBSLC6A9PLAUPLAURFOLH1
SCHEMBL2240651 0.80 SLC6A9 (0.39) ALBSLC6A9PLAUPLAURFOLH1
SCHEMBL9205301 0.80 EGLN1 (0.40) SLC6A9EGLN1

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 7 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-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 US disclosed
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
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 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 ALB 1926/4885SLC6A9 229/4885PLAU 3689/4885

“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.