SCHEMBL3415840

SCHEMBL3415840

CC(C)(C)OC(=O)CN1CCNCCNCCNCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
CHRM3 P20309 3/20 0.45
CHRM5 P08912 2/20 0.45
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CNR1 P21554 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CTSK P43235 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
SCHEMBL4771744 0.98 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL649131 0.98 SIGMAR1 (0.50) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL4134315 0.98 SIGMAR1 (0.50) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL583320 0.96 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL1149470 0.96 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL23320287 0.96 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL980555 0.96 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL8209880 0.95 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Bromide SCHEMBL583318 0.95 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL7044717 0.92 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250073356-A1 REACTIVE MULTI-ARM POLYMERS HAVING BRANCHED END GROUPS BOSTON SCIENT SCIMED INC (US) 2025-03-06 US disclosed
US-12178888-B2 Reactive multi-arm polymers having branched end groups BOSTON SCIENTIFIC SCIMED, INC. (US) 2024-12-31 US disclosed
EP-4021960-A1 REACTIVE MULTI-ARM POLYMERS HAVING BRANCHED END GROUPS Boston Scientific Scimed Inc. (US) 2022-07-06 EP disclosed
CN-114269393-A Reactive multiarm polymers with branched end groups 波士顿科学医学有限公司 2022-04-01 CN disclosed
WO-2021041234-A1 REACTIVE MULTI-ARM POLYMERS HAVING BRANCHED END GROUPS BOSTON SCIENTIFIC SCIMED, INC. (US) 2021-03-04 WO disclosed
US-20210060183-A1 REACTIVE MULTI-ARM POLYMERS HAVING BRANCHED END GROUPS BOSTON SCIENTIFIC SCIMED, INC. 2021-03-04 US disclosed
CN-106890345-B Contrast agent molecule targeting mitochondria as T2Use of contrast agents 中国科学院苏州纳米技术与纳米仿生研究所 2020-09-01 CN disclosed
EP-3177326-A1 SELF-ASSEMBLING MOLECULES THAT ACCUMULATE IN ACIDIC TUMOR MICROENVIRONMENTS The Ohio State Innovation Foundation (US) 2017-06-14 EP disclosed
US-20170050988-A1 DOTAM DERIVATIVES FOR THERAPEUTIC USE SANOFI (FR) 2017-02-23 US disclosed
US-20170050988-A1 DOTAM DERIVATIVES FOR THERAPEUTIC USE SANOFI (FR) 2017-02-23 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
WO-2005003105-A1 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES THE UNIVERSITY OF HONG KONG (CN) 2005-01-13 WO disclosed
US-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
EP-1289571-A2 PROCHELATORS OF RADIOMETAL LABELED MOLECULES MALLINCKRODT, INC. (US) 2003-03-12 EP disclosed
US-20020187101-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AG (DE) 2002-12-12 US disclosed
US-6426059-B1 NUCLEAR MAGNETIC RESONANCE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-07-30 US disclosed
WO-2002024235-A2 PROCHELATORS OF RADIOMETAL LABELED MOLECULES UNIVERSITY HOSPITAL (CH) 2002-03-28 WO disclosed
US-6166200-A Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
US-5919433-A NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-06 US disclosed
EP-0702677-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO International B.V. (NL) 1996-03-27 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 (3 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-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes ZYX, CCNY, MOK SIGMAR1 1725/4885CHRM3 1341/4885CHRM5 1682/4885
US-20020187101-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes TFPI, LYN, SYK SIGMAR1 4236/4885CHRM3 2550/4885CHRM5 3745/4885
US-20170050988-A1 DOTAM DERIVATIVES FOR THERAPEUTIC USE SSTR2, SSTR5, SSTR3 SIGMAR1 710/4885CHRM3 1869/4885CHRM5 2629/4885

“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.