Calcobutrol

Calcobutrol

SCHEMBL1875231

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.43
HSD17B10 Q99714 1/20 0.40
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31
TACR1 P25103 3/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
PDE4A P27815 1/20 0.31
S1PR1 P21453 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
Calcobutrol SCHEMBL22763151 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
SCHEMBL12671512 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL29764073 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
SCHEMBL23802704 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL16479551 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
SCHEMBL23802703 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL10024738 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL20540234 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL21618318 0.98 SLC6A9 (0.42) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL14834269 0.98 SLC6A9 (0.42) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1

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 370 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12303573-B2 Formulation of contrast media and process of preparation thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-05-20 US claimed
US-20250152753-A1 FORMULATION OF CONTRAST MEDIA AND PROCESS OF PREPARATION THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-05-15 US claimed
US-20240252690-A1 FORMULATION OF CONTRAST MEDIA AND PROCESS OF PREPARATION THEREOF BAYER AG (DE) 2024-08-01 US claimed
WO-2024100233-A1 GENERATION OF ARTIFICIAL CONTRAST-ENHANCED RADIOLOGICAL IMAGES BAYER AKTIENGESELLSCHAFT (DE) 2024-05-16 WO claimed
EP-4369353-A1 GENERATION OF ARTIFICIAL CONTRAST AGENT-ENHANCED RADIOLOGICAL RECORDINGS Bayer Aktiengesellschaft (DE) 2024-05-15 EP claimed
US-11944690-B2 Formulation of contrast media and process of preparation thereof BAYER AKTIENGESELLSCHAFT (DE) 2024-04-02 US claimed
WO-2024052156-A1 GENERATION OF ARTIFICIAL CONTRAST-ENHANCED RADIOLOGICAL IMAGES BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO claimed
WO-2024046831-A1 GENERATION OF SYNTHETIC RADIOLOGICAL IMAGES BAYER AKTIENGESELLSCHAFT (DE) 2024-03-07 WO claimed
WO-2024046833-A1 GENERATION OF SYNTHETIC RADIOLOGICAL IMAGES BAYER AKTIENGESELLSCHAFT (DE) 2024-03-07 WO claimed
WO-2024046832-A1 GENERATION OF SYNTHETIC RADIOLOGICAL IMAGES BAYER AKTIENGESELLSCHAFT (DE) 2024-03-07 WO claimed
WO-2011054480-A1 GADOBUTROL PRODUCTION BY MEANS OF A CERAMIC MEMBRANE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-12 WO claimed
EP-0986548-B1 PRODUCTION OF MONO AND 1,7-BIS-N-HYDROXYALKYL-CYCLENE AND LITHIUM SALT COMPLEXES SCHERING AG (DE) 2003-07-30 EP claimed
US-20020176823-A1 1,4,7,10-tetraazacyclododecane butyltriols, processes for their production and pharmaceutical agents containing them BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-11-28 US claimed
US-6042810-A Process for the preparation of macrocyclic chelants and the chelates thereof with paramagnetic metal ions DIBRA S.P.A. (IT) 2000-03-28 US claimed
US-5980864-A 1,4,7,10-tetraazacyclododecane butyltriols, processes for their production and pharmaceutical agents containing them SCHERING AKTIENGELLSELLSCHAFT (DE) 1999-11-09 US claimed
EP-0596586-B1 Process for the production of metal complexes of N-beta-hydroxalkyl-tri-N-carboxyalkyl-1,4,7,10-tetraazacyclododecane and derivatives thereof SCHERING AG (DE) 1997-01-22 EP claimed
EP-0448191-B1 1,4,7,10-Tetraazacyclododecane-butyltriols, process for their preparation, and pharmaceutical agents containing these compounds SCHERING AG (DE) 1995-06-28 EP claimed
US-5410043-A Chemical intermediate for metal complexes SCHERING AKTIENGESELLSCHAFT (DE) 1995-04-25 US claimed
EP-0596586-A1 Process for the production of metal complexes of N-beta-hydroxalkyl-tri-N-carboxyalkyl-1,4,7,10-tetraazacyclododecane and derivatives thereof SCHERING AKTIENGESELLSCHAFT (DE) 1994-05-11 EP claimed
EP-0448191-A1 1,4,7,10-Tetraazacyclododecane-butyltriols, process for their preparation, and pharmaceutical agents containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-25 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-12303573-B2 Formulation of contrast media and process of preparation thereof RXFP3, SLC6A3, PDE3A SLC6A9 401/4885HSD17B10 4735/4885CACNA2D1 2934/4885
US-20250152753-A1 FORMULATION OF CONTRAST MEDIA AND PROCESS OF PREPARATION THEREOF RXFP3, SLC6A3, PDE3A SLC6A9 401/4885HSD17B10 4735/4885CACNA2D1 2934/4885
US-20240252690-A1 FORMULATION OF CONTRAST MEDIA AND PROCESS OF PREPARATION THEREOF RXFP3, SLC6A3, PDE3A SLC6A9 401/4885HSD17B10 4735/4885CACNA2D1 2934/4885
US-11944690-B2 Formulation of contrast media and process of preparation thereof RXFP3, SLC39A3, F12 SLC6A9 128/4885HSD17B10 4846/4885CACNA2D1 4487/4885
US-20020176823-A1 1,4,7,10-tetraazacyclododecane butyltriols, processes for their production and pharmaceutical agents containing them CYP11B1, CYP11B2, BBOX1 SLC6A9 1944/4885HSD17B10 49/4885CACNA2D1 1602/4885

“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.