SCHEMBL8484657

SCHEMBL8484657

CCOC(=O)CN1CCNCCN(CC(=O)OCC)CCN(CC(=O)OCC)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
CHRM5 P08912 2/20 0.46
CHRM3 P20309 2/20 0.46
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ELANE P08246 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
MAPK1 P28482 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37

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
Ethyl Piperazinoacetate SCHEMBL5699 0.98 SIGMAR1 (0.49) SIGMAR1CHRM5CHRM3GSK3AGSK3B
Ethyl Piperazinoacetate SCHEMBL16528281 0.96 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM3GSK3AGSK3B
Ethyl Piperazinoacetate SCHEMBL17271810 0.96 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM3GSK3AGSK3B
SCHEMBL8911402 0.96 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM3GSK3AGSK3B
SCHEMBL26091201 0.96 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM3GSK3AGSK3B
SCHEMBL31365998 0.93 SIGMAR1 (0.43) SIGMAR1CHRM5CHRM3GSK3AGSK3B
SCHEMBL3684954 0.92 SIGMAR1 (0.51) SIGMAR1CHRM5CHRM3GSK3AGSK3B
SCHEMBL1418858 0.91 SIGMAR1 (0.54) SIGMAR1CHRM5CHRM3GSK3AGSK3B
Hydrochloric Acid SCHEMBL22344162 0.90 SIGMAR1 (0.52) SIGMAR1CHRM5CHRM3GSK3AGSK3B
SCHEMBL4444447 0.89 SIGMAR1 (0.51) SIGMAR1CHRM5CHRM3ALDH1A1TDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113453720-B Dual ligand drug conjugate and uses thereof 同宜医药(苏州)有限公司 2025-05-06 CN disclosed
US-20220175761-A1 BI-LIGAND DRUG CONJUGATE AND USE THEREOF COHERENT BIOPHARMA SUZHOU LTD (CN) 2022-06-09 US disclosed
US-5919431-A 1,4,7,10-tetraazacyclododecane derivatives, their use, pharmaceutical agents containing these compounds and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-06 US disclosed
EP-0730586-A1 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES, THEIR USE, PHARMACEUTICALS CONTAINING THEM AND PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-11 EP disclosed
WO-1995014678-A1 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES, THEIR USE, PHARMACEUTICALS CONTAINING THEM AND PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-01 WO disclosed
EP-0255471-B1 1,4,7,10-TETRAAZACYCLODODECANE-DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-09-09 EP disclosed
EP-0265247-A1 Cyclopentyl ethers and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1988-04-27 EP disclosed
EP-0255471-A1 1,4,7,10-Tetraazacyclododecane-derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-02-03 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 (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-20220175761-A1 BI-LIGAND DRUG CONJUGATE AND USE THEREOF SLC10A1, CD47, SELPLG SIGMAR1 1011/4885CHRM5 2221/4885CHRM3 2229/4885

“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.