SCHEMBL4134315

SCHEMBL4134315

CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.50
CHRM3 P20309 3/20 0.46
CHRM5 P08912 2/20 0.46
PLA2G10 O15496 1/20 0.40
PLA2G5 P39877 1/20 0.40
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL649131 1.00 SIGMAR1 (0.50) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL583320 0.98 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL980555 0.98 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL3415840 0.98 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL1149470 0.98 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL23320287 0.98 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Bromide SCHEMBL583318 0.96 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL8209880 0.96 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL4771744 0.96 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL10000695 0.93 SIGMAR1 (0.45) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12589169-B2 Compound and MRI contrast agent containing same KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2026-03-31 US disclosed
US-20260083864-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AG (DE) 2026-03-26 US disclosed
US-20260077069-A1 COMBINATIONS OF CONTRAST AGENTS BAYER AG (DE) 2026-03-19 US disclosed
EP-4219510-B1 NOVEL COMPOUND AND MRI CONTRAST AGENT COMPRISING THE SAME KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2026-01-07 EP disclosed
EP-4583925-A1 COMBINATIONS OF CONTRAST AGENTS Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
EP-4583926-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
WO-2025087229-A1 LIGAND COMPOUND OF QUINOLINE STRUCTURE, RADIOACTIVE OR NON-RADIOACTIVE MARKER, AND USE 四川科伦博泰生物医药股份有限公司 2025-05-01 WO disclosed
WO-2025087466-A2 LIGAND COMPOUND OF QUINOLINE STRUCTURE, AND RADIOACTIVE OR NON-RADIOACTIVE MARKER THEREOF AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-05-01 WO disclosed
EP-4308551-B1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AG (DE) 2025-04-09 EP disclosed
US-20240182431-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-06-06 US disclosed
EP-2476683-A2 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF Kyungpook National University Industry- Academic Cooperation Foundation (KR) 2012-07-18 EP disclosed
US-8193174-B2 Responsive luminescent lanthanide complexes UNIVERSITY OF DURHAM (GB) 2012-06-05 US disclosed
WO-2010084090-A1 PYRIDYL-AZA(THIO)XANTHONE SENSITIZER COMPRISING LANTHANIDE(III) ION COMPLEXING COMPOUNDS, THEIR LUMINESCENT LANTHANIDE (III) ION COMPLEXES AND USE THEREOF AS FLUORESCENT LABELS. CIS BIO INTERNATIONAL (FR) 2010-07-29 WO disclosed
US-20090087377-A1 COMPOSITIONS FOR TARGETED IMAGING AND THERAPY THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE ARMY 2009-04-02 US disclosed
US-20090053137-A1 Chelating Conjugates Having a Substituted Aromatic Moiety and Derivatives Thereof SpecGx LLC 2009-02-26 US disclosed
US-20090053137-A1 Chelating Conjugates Having a Substituted Aromatic Moiety and Derivatives Thereof SpecGx LLC 2009-02-26 US disclosed
US-20080312431-A1 Responsive Luminescent Lanthanide Complexes UNIVERSITY OF DURHAM (GB) 2008-12-18 US disclosed
EP-1885817-A1 RESPONSIVE LUMINESCENT LANTHANIDE COMPLEXES UNIVERSITY OF DURHAM (GB) 2008-02-13 EP disclosed
US-20070128116-A1 MULTIFUNCTIONAL CORE FOR MOLECULAR IMAGING AND TARGETED DELIVERY OF MACROMOLECULES AND DRUGS WANG ZHENG J 2007-06-07 US disclosed
WO-2006120444-A1 RESPONSIVE LUMINESCENT LANTHANIDE COMPLEXES UNIVERSITY OF DURHAM (GB) 2006-11-16 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 (8 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-20090087377-A1 COMPOSITIONS FOR TARGETED IMAGING AND THERAPY EGFR, ASGR1, TK1 SIGMAR1 1146/4885CHRM3 1340/4885CHRM5 2593/4885
US-20090053137-A1 Chelating Conjugates Having a Substituted Aromatic Moiety and Derivatives Thereof SLC30A5, SLC40A1, SLC46A1 SIGMAR1 2164/4885CHRM3 3344/4885CHRM5 3272/4885
US-20240182431-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING MAG, GBA1, GLRX3 SIGMAR1 1304/4885CHRM3 934/4885CHRM5 1767/4885
US-20260077069-A1 COMBINATIONS OF CONTRAST AGENTS GBA1, GBA3, GLS2 SIGMAR1 722/4885CHRM3 449/4885CHRM5 1172/4885
US-12589169-B2 Compound and MRI contrast agent containing same TMEM165, SLC10A1, HKDC1 SIGMAR1 277/4885CHRM3 2098/4885CHRM5 2465/4885
US-20080312431-A1 Responsive Luminescent Lanthanide Complexes TPR, NLRP1, NISCH SIGMAR1 2273/4885CHRM3 1188/4885CHRM5 2205/4885
US-20260083864-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING CA13, CCR1, GALC SIGMAR1 1089/4885CHRM3 135/4885CHRM5 424/4885
US-20070128116-A1 MULTIFUNCTIONAL CORE FOR MOLECULAR IMAGING AND TARGETED DELIVERY OF MACROMOLECULES AND DRUGS MSN, SLC43A1, CLTB SIGMAR1 136/4885CHRM3 2219/4885CHRM5 3331/4885

“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.