SCHEMBL2440677

SCHEMBL2440677

O=C(CCCCBr)NCCc1c[nH]c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
MTNR1A P48039 2/20 0.76
AANAT Q16613 1/20 0.74
ALDH1A1 P00352 1/20 0.64
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
MAPT P10636 2/20 0.62
UBE2N P61088 1/20 0.62
LMNA P02545 2/20 0.62
CYP1A2 P05177 1/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
BLM P54132 1/20 0.62
GFER P55789 1/20 0.62
MMP9 P14780 1/20 0.60
TRPV1 Q8NER1 1/20 0.58

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
SCHEMBL4536522 0.91 AANAT (0.80) MEN1KMT2AMTNR1AAANATALDH1A1
SCHEMBL1233057 0.89 MEN1 (0.83) MEN1KMT2AMTNR1AAANATALDH1A1
SCHEMBL1232692 0.88 MEN1 (0.77) MEN1KMT2AMTNR1AAANATALDH1A1
SCHEMBL2808670 0.88 MEN1 (0.81) MEN1KMT2AMTNR1AAANATALDH1A1
SCHEMBL12315048 0.88 MEN1 (0.81) MEN1KMT2AMTNR1AAANATALDH1A1
SCHEMBL1233177 0.88 MEN1 (0.81) MEN1KMT2AMTNR1AAANATALDH1A1
SCHEMBL12672064 0.88 MEN1 (0.81) MEN1KMT2AMTNR1AAANATALDH1A1
SCHEMBL29926356 0.88 MTNR1A (0.98) MEN1KMT2AMTNR1AAANATALDH1A1
SCHEMBL1726877 0.88 MEN1 (0.81) MEN1KMT2AMTNR1AAANATALDH1A1
SCHEMBL1231568 0.87 MTNR1A (0.79) MEN1KMT2AMTNR1AAANATALDH1A1

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 11 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
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
CN-105017481-A Crosslinked polyvrnylamine, poly all ylamine, and polyethyleneimine for use as bile acid sequestrants RELYPSA INC 2015-11-04 CN disclosed
CN-102858817-B Crosslinked polyvinylamines, polyallylamines and ethyleneimines for use as bile acid sequestrants RELYPSA, INC. (US) 2015-09-02 CN 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
EP-2539380-A2 CROSSLINKED POLYVRNYLAMINE, POLY ALL YLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2013-01-02 EP disclosed
CN-102858817-A Crosslinked polyvinylamines, polyallylamines and ethyleneimines for use as bile acid sequestrants RELYPSA INC 2013-01-02 CN 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 MEN1 2378/4885KMT2A 1756/4885MTNR1A 1555/4885
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants NR1H4, SLC10A2, GPBAR1 MEN1 2378/4885KMT2A 1756/4885MTNR1A 1555/4885
US-20130022570-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, GPBAR1 MEN1 2378/4885KMT2A 1756/4885MTNR1A 1555/4885

“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.