SCHEMBL1376345

SCHEMBL1376345

CCOC(=O)C(C)NC(=O)CN1CCNCCN(CC(=O)NC(C)C(=O)OCC)CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.65
CHRM3 P20309 2/20 0.65
SIGMAR1 Q99720 8/20 0.46
ALDH1A1 P00352 3/20 0.38
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
PADI1 Q9ULC6 1/20 0.37
PADI4 Q9UM07 1/20 0.37
NPC1 O15118 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL255190 0.79 CHRM5 (1.00) CHRM5CHRM3SIGMAR1ALDH1A1NPC1
SCHEMBL11445619 0.77 MEN1 (0.46) CHRM5CHRM3SIGMAR1ALDH1A1PADI1
SCHEMBL2007992 0.75 CHRM5 (0.67) CHRM5CHRM3SIGMAR1ALDH1A1PADI1
Ethyl Piperazinoacetate SCHEMBL5699 0.74 SIGMAR1 (0.49) CHRM5CHRM3SIGMAR1ALDH1A1
SCHEMBL983664 0.74 CHRM5 (0.71) CHRM5CHRM3SIGMAR1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL2008643 0.73 CHRM5 (0.65) CHRM5CHRM3SIGMAR1ALDH1A1PADI1
SCHEMBL16267250 0.73 PADI1 (0.47) CHRM5CHRM3SIGMAR1ALDH1A1PADI1
Ethyl Piperazinoacetate SCHEMBL17271810 0.73 SIGMAR1 (0.47) CHRM5CHRM3SIGMAR1ALDH1A1
SCHEMBL8911402 0.73 SIGMAR1 (0.47) CHRM5CHRM3SIGMAR1ALDH1A1
Ethyl Piperazinoacetate SCHEMBL16528281 0.73 SIGMAR1 (0.47) CHRM5CHRM3SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391610-B1 LUMINESCENT LANTHANIDE COMPLEXES UNIV DURHAM (GB) 2016-10-26 EP disclosed
US-9448225-B2 Responsive luminescent lathanide complexes UNIVERSITY OF DURHAM (GB) 2016-09-20 US disclosed
US-20140179015-A1 RESPONSIVE LUMINESCENT LATHANIDE COMPLEXES UNIVERSITY OF DURHAM (GB) 2014-06-26 US disclosed
US-8628978-B2 Responsive luminescent lanthanide complexes UNIVERSITY OF DURHAM (GB) 2014-01-14 US disclosed
US-20110287558-A1 RESPONSIVE LUMINESCENT LANTHANIDE COMPLEXES UNIVERSITY OF DURHAM (GB) 2011-11-24 US 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 (2 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-20140179015-A1 RESPONSIVE LUMINESCENT LATHANIDE COMPLEXES GLRX3, SUCNR1, SDHA CHRM5 1428/4885CHRM3 1917/4885SIGMAR1 2556/4885
US-20110287558-A1 RESPONSIVE LUMINESCENT LANTHANIDE COMPLEXES GLRX3, SDHA, SUCNR1 CHRM5 1371/4885CHRM3 1768/4885SIGMAR1 2798/4885

“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.