SCHEMBL2407838

SCHEMBL2407838

BrCCCCCCCCCC[n+]1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.75
▸ ACHE P22303 6/20 0.75

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
SCHEMBL30105291 1.00 BCHE (0.75) BCHEACHE
SCHEMBL7046057 1.00 BCHE (0.75) BCHEACHE
SCHEMBL7045560 1.00 BCHE (0.75) BCHEACHE
Bromide SCHEMBL7927268 0.98 BCHE (0.76) BCHEACHE
Ammonia Solution, Strong SCHEMBL28709118 0.98 BCHE (0.71) BCHEACHE
Bromide SCHEMBL2401340 0.98 BCHE (0.76) BCHEACHE
Bromide SCHEMBL7927418 0.98 BCHE (0.76) BCHEACHE
SCHEMBL5393053 0.97 BCHE (0.70) BCHEACHE
Bromide SCHEMBL7919286 0.95 BCHE (0.71) BCHEACHE
SCHEMBL31232300 0.90 BCHE (0.65) BCHEACHE

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
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
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
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 BCHE 189/4885ACHE 3020/4885
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants NR1H4, SLC10A2, GPBAR1 BCHE 189/4885ACHE 3020/4885
US-20130022570-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, GPBAR1 BCHE 189/4885ACHE 3020/4885

“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.

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