SCHEMBL2401560

SCHEMBL2401560

NCCCN(CCCN)C(=O)CCCCC(=O)N(CCCN)CCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
ACHE P22303 1/20 0.43
LMNA P02545 3/20 0.42
BLM P54132 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
THRB P10828 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
PLG P00747 1/20 0.42
ALOX15 P16050 1/20 0.42
SLC6A2 P23975 1/20 0.42
RECQL P46063 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PAOX Q6QHF9 1/20 0.41
MC5R P33032 3/20 0.40
MC3R P41968 3/20 0.40
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40

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
Hydrochloric Acid SCHEMBL2400285 0.98 BLM (0.46) CYP2D6NFKB1ACHELMNABLM
SCHEMBL19723211 0.95 ACHE (0.41) CYP2D6NFKB1ACHELMNABLM
SCHEMBL2401124 0.92 LMNA (0.42) CYP2D6NFKB1ACHELMNABLM
SCHEMBL20763461 0.89 MC5R (0.38) CYP2D6NFKB1ACHELMNABLM
SCHEMBL17645573 0.88 CES2 (0.45) ACHEKMT2AALDH1A1MEN1HDAC11
SCHEMBL6156406 0.88 CES2 (0.45) ACHEKMT2AALDH1A1MEN1HDAC11
SCHEMBL17424013 0.86 ACHE (0.46) ACHELMNAKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL19924856 0.86 DNM1 (0.46) ACHEKMT2AALDH1A1MEN1TSHR
Hydrochloric Acid SCHEMBL19924864 0.86 DNM1 (0.46) ACHEKMT2AALDH1A1MEN1TSHR
SCHEMBL15081453 0.86 ACHE (0.46) CYP2D6NFKB1ACHELMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539389-B1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2017-12-20 EP disclosed
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2017-09-14 US disclosed
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2017-09-14 US disclosed
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2017-09-14 US disclosed
US-9655920-B2 Amine polymers for use as bile acid sequestrants RELYPSA, INC. (US) 2017-05-23 US disclosed
US-9655920-B2 Amine polymers for use as bile acid sequestrants RELYPSA, INC. (US) 2017-05-23 US disclosed
US-9655920-B2 Amine polymers for use as bile acid sequestrants RELYPSA, INC. (US) 2017-05-23 US disclosed
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2014-12-04 US disclosed
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2014-12-04 US disclosed
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2014-12-04 US disclosed
EP-2539389-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2013-01-02 EP disclosed
WO-2011106548-A1 AMINE POLYMERS 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 (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-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 CYP2D6 763/4885NFKB1 4040/4885ACHE 1736/4885
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 CYP2D6 763/4885NFKB1 4040/4885ACHE 1736/4885

“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.