SCHEMBL4771744

SCHEMBL4771744

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.47
CHRM3 P20309 3/20 0.44
CHRM5 P08912 2/20 0.44
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CACNA1H O95180 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
SCHEMBL3415840 0.98 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL583320 0.98 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL1149470 0.98 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL8209880 0.97 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Bromide SCHEMBL583318 0.97 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL4134315 0.96 SIGMAR1 (0.50) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL649131 0.96 SIGMAR1 (0.50) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL23320287 0.95 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL980555 0.95 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL7044717 0.94 SIGMAR1 (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3959208-B1 CYCLEN BASED COMPOUNDS, COORDINATION COMPOUNDS, PEPTIDES, PHARMACEUTICAL PREPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2023-07-05 EP disclosed
EP-1641770-A4 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES UNIV HONG KONG (CN) 2008-12-31 EP disclosed
US-20070104645-A1 Chelate based scaffolds in tumor targeting PARK FUNDING, LLC 2007-05-10 US disclosed
US-20070104645-A1 Chelate based scaffolds in tumor targeting PARK FUNDING, LLC 2007-05-10 US disclosed
EP-1641770-A1 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES The University of Hong Kong (CN) 2006-04-05 EP disclosed
US-20050033106-A1 Synthesis of tris N-alkylated 1,4,7,10-tetraazacyclododecanes UNIVERSITY OF HONG KONG (CN) 2005-02-10 US disclosed
WO-2005003105-A1 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES THE UNIVERSITY OF HONG KONG (CN) 2005-01-13 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 (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-20070104645-A1 Chelate based scaffolds in tumor targeting ITGB3, ITGB1, ITGA2B SIGMAR1 924/4885CHRM3 2050/4885CHRM5 4011/4885

“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.