SCHEMBL5550813

SCHEMBL5550813

O=C(O)CN1CCNCCNCCN(CC(=O)O)CC1

nearest known ligand 0.91

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.48
CHRM3 P20309 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SIGMAR1 Q99720 6/20 0.44
SLC6A9 P48067 1/20 0.39
CXCR4 P61073 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL5556374 0.98 CHRM5 (0.47) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL472190 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1CXCR4
Piperazine SCHEMBL28199664 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1CXCR4
SCHEMBL934786 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1CXCR4
SCHEMBL29299554 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL306395 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL472213 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL8038178 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL6537424 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
Hydrochloric Acid SCHEMBL28968883 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045838-B1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO IMAGING SPA (IT) 2007-02-28 EP claimed
EP-1047677-B1 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO SPA (IT) 2005-07-20 EP claimed
US-6342597-B1 CONDENSATION REACTION TRIETHYLENETETRAMINE WITH GLYOXAL TO CYCLIZE; OXIDATION, ALKYLATION, HYDROLYSIS, QUATERNIZATION; NUCLEAR MAGNETIC RESONANCE IMAGING DIBRA S.P.A. (IT) 2002-01-29 US claimed
EP-1047677-A2 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO S.p.A. (IT) 2000-11-02 EP claimed
EP-1045838-A1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO S.p.A. (IT) 2000-10-25 EP claimed
WO-1999035134-A1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO S.P.A. (IT) 1999-07-15 WO claimed
WO-1999035133-A2 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS BRACCO S.P.A. (IT) 1999-07-15 WO claimed
US-12134610-B2 Somatostatin subtype-2 receptor (SST2R) targeted therapeutics and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2024-11-05 US disclosed
EP-4455159-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS WITH BIO-DISTRIBUTION MODIFIER 3B Pharmaceuticals GmbH (DE) 2024-10-30 EP disclosed
US-20240254106-A1 SOMATOSTATIN SUBTYPE-2 RECEPTOR (SST2R) TARGETED THERAPEUTICS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2024-08-01 US disclosed
US-20240254105-A1 SOMATOSTATIN SUBTYPE-2 RECEPTOR (SST2R) TARGETED THERAPEUTICS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2024-08-01 US disclosed
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-03-30 US disclosed
US-20160228581-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2016-08-11 US disclosed
US-5977353-A 1,4,7,10-tetraazabicyclo[8.2.2]tetradecan-2-one, a process for the preparation thereof and the use thereof for the preparation of tetraazamacrocycles DIBRA S.P.A. (IT) 1999-11-02 US disclosed
WO-1999035133-A3 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS BRACCO SPA (IT) 1999-08-26 WO disclosed
WO-1999035134-A1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO S.P.A. (IT) 1999-07-15 WO disclosed
WO-1999035134-A1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO S.P.A. (IT) 1999-07-15 WO disclosed
WO-1999035134-A1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO S.P.A. (IT) 1999-07-15 WO disclosed
WO-1999035133-A2 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS BRACCO S.P.A. (IT) 1999-07-15 WO disclosed
WO-1999035133-A2 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS BRACCO S.P.A. (IT) 1999-07-15 WO 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 (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-12134610-B2 Somatostatin subtype-2 receptor (SST2R) targeted therapeutics and uses thereof SSTR2, SSTR1, SSTR4 CHRM5 4496/4885CHRM3 3575/4885HSD17B10 3261/4885
US-20240254106-A1 SOMATOSTATIN SUBTYPE-2 RECEPTOR (SST2R) TARGETED THERAPEUTICS AND USES THEREOF SSTR2, SSTR1, SSTR4 CHRM5 4496/4885CHRM3 3575/4885HSD17B10 3261/4885
US-20160228581-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME ABCB7, FECH, CYC1 CHRM5 4264/4885CHRM3 3717/4885HSD17B10 886/4885
US-20240254105-A1 SOMATOSTATIN SUBTYPE-2 RECEPTOR (SST2R) TARGETED THERAPEUTICS AND USES THEREOF SSTR2, SSTR1, SSTR4 CHRM5 4496/4885CHRM3 3575/4885HSD17B10 3261/4885
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same ABCB7, FECH, CYC1 CHRM5 4264/4885CHRM3 3717/4885HSD17B10 886/4885

“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.