SCHEMBL2406791

SCHEMBL2406791

C=CN(C=O)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 6/20 0.43
CA14 Q9ULX7 1/20 0.40
DRD2 P14416 3/20 0.37
EPHX1 P07099 1/20 0.37
HTT P42858 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL29616821 0.80 TDP1 (0.58) TDP1MAOAMAOBMEN1GAA
SCHEMBL18938501 0.78 TDP1 (0.49) TDP1MAOAMAOBMEN1GAA
SCHEMBL14652308 0.78 TDP1 (0.55) TDP1MAOAMAOBMEN1GAA
SCHEMBL15610483 0.77 TDP1 (0.68) TDP1MAOAMAOBMEN1GAA
SCHEMBL23521827 0.77 MAOA (0.55) TDP1MAOAMAOBMEN1GAA
SCHEMBL27296737 0.77 TDP1 (0.54) TDP1MAOAMAOBMEN1GAA
SCHEMBL13377000 0.76 TDP1 (0.66) TDP1MAOAMAOBMEN1GAA
SCHEMBL285008 0.76 TDP1 (0.66) TDP1MAOAMAOBMEN1GAA
SCHEMBL14632439 0.76 CA14 (0.33) CA14
SCHEMBL23680049 0.76 MAOA (0.61) TDP1MAOAMAOBMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants RELYPSA, INC. (US) 2019-04-30 US disclosed
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants RELYPSA, INC. (US) 2019-04-30 US disclosed
EP-2998329-A2 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2016-03-23 EP disclosed
EP-2998329-A2 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2016-03-23 EP disclosed
US-20160051576-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2016-02-25 US disclosed
US-9181364-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants RELYPSA, INC. (US) 2015-11-10 US disclosed
US-9181364-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants RELYPSA, INC. (US) 2015-11-10 US disclosed
US-9181364-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants RELYPSA, INC. (US) 2015-11-10 US disclosed
EP-2539380-B1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2015-08-19 EP disclosed
US-20130022570-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2013-01-24 US disclosed
US-20130022570-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2013-01-24 US disclosed
US-20130022570-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2013-01-24 US disclosed
EP-2539380-A2 CROSSLINKED POLYVRNYLAMINE, POLY ALL YLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2013-01-02 EP disclosed
WO-2011106542-A2 CROSSLINKED POLYVRNYLAMINE, POLY ALL YLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2011-09-01 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 (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-20160051576-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, GPBAR1 TDP1 3964/4885MAOA 3110/4885MAOB 3491/4885
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants NR1H4, SLC10A2, GPBAR1 TDP1 3964/4885MAOA 3110/4885MAOB 3491/4885
US-20130022570-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, GPBAR1 TDP1 3964/4885MAOA 3110/4885MAOB 3491/4885

“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.