SCHEMBL5370149

SCHEMBL5370149

O=C(O)CN1CCN(CC(=O)O)CCN(C(CO)C(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.45
HSD17B10 Q99714 1/20 0.42
ALB P02768 1/20 0.35
TACR1 P25103 3/20 0.34
CACNA2D1 P54289 2/20 0.33
CACNA1B Q00975 2/20 0.33
CACNB1 Q02641 2/20 0.33
CACNA1C Q13936 2/20 0.33
LMNA P02545 1/20 0.33
S1PR1 P21453 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6625142 1.00 SLC6A9 (0.45) SLC6A9HSD17B10ALBTACR1CACNA2D1
SCHEMBL5551081 1.00 SLC6A9 (0.45) SLC6A9HSD17B10ALBTACR1CACNA2D1
SCHEMBL6628577 1.00 SLC6A9 (0.45) SLC6A9HSD17B10ALBTACR1CACNA2D1
SCHEMBL6626285 0.90 SLC6A9 (0.39) SLC6A9HSD17B10ALBTACR1S1PR1
SCHEMBL21185731 0.87 SLC6A9 (0.44) SLC6A9HSD17B10ALBTACR1CACNA2D1
SCHEMBL300399 0.85
SCHEMBL9159811 0.85 SLC6A9 (0.43) SLC6A9HSD17B10ALBTACR1CACNA2D1
SCHEMBL6628233 0.85 SLC6A9 (0.36) SLC6A9HSD17B10ALBTACR1S1PR1
SCHEMBL15780321 0.85 SLC6A9 (0.45) SLC6A9HSD17B10ALBTACR1
SCHEMBL2779265 0.85 SLC6A9 (0.45) SLC6A9HSD17B10ALBTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325762-B1 Macrocyclic chelating agents and chelates thereof BRACCO SPA (IT) 1995-03-22 EP claimed
EP-0325762-A1 Macrocyclic chelating agents and chelates thereof BRACCO S.p.A. (IT) 1989-08-02 EP claimed
US-7226578-B2 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SHERING AG (DE) 2007-06-05 US disclosed
US-6916461-B2 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SCHERING AG (DE) 2005-07-12 US disclosed
US-20050147563-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-07 US disclosed
US-20030232012-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SCHERING AG (DE) 2003-12-18 US disclosed
US-6468502-B1 PARAMAGNETIC MACROMOLECULES WITH HIGHER PROTON RELAXIVITY; LOWER DOSAGE AND INCREASED SIGNAL INTENSITY; DETECTING VASCULAR DISEASES; DIFFERENTIATING TISSUE BLOOD SUPPLY LEVELS; DISTINGUISHING MYOCARDIAL INFARCTION FROM ISCHEMIA SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
EP-0874645-B1 PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THEIR USE IN NMR DIAGNOSTICS SCHERING AG (DE) 2002-04-03 EP disclosed
EP-0882010-B1 PHARMACEUTICAL AGENTS CONTAINING PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THE USE THEREOF IN TUMOUR THERAPY AND INTERVENTIONAL RADIOLOGY SCHERING AG (DE) 2001-05-02 EP disclosed
US-6180113-B1 USED IN TUMOR THERAPY AND INTERVENTIONAL RADIOLOGY SCHERING AG (DE) 2001-01-30 US disclosed
EP-0325762-B1 Macrocyclic chelating agents and chelates thereof BRACCO SPA (IT) 1995-03-22 EP disclosed
US-5132409-A Derivatives of 1,4,7,10-Tetraazacyclododecane BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1992-07-21 US disclosed
EP-0325762-A1 Macrocyclic chelating agents and chelates thereof BRACCO S.p.A. (IT) 1989-08-02 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-20050147563-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis FABP1, FLOT1, AFF1 SLC6A9 368/4885HSD17B10 1741/4885ALB 981/4885

“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.