SCHEMBL2401264

SCHEMBL2401264

NCCCN(CCCN)C(=O)c1cccc(C(=O)N(CCCN)CCCN)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.42
MC4R P32245 1/20 0.41
MC3R P41968 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.37
LIMK2 P53671 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2778476 0.89 TDP1 (0.43) ADRA2CKDM4EALOX15TSHRACMSD
SCHEMBL28817951 0.83 PIM1 (0.39) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL12487684 0.82 ALDH1A1 (0.48) KDM4E
SCHEMBL7656985 0.79 L3MBTL1 (0.53) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL16276206 0.76 ADRA2C (0.51) ADRA2CMC4RMC3RTSHRTDP1
SCHEMBL11025978 0.73 ALDH1A1 (0.43) KDM4E
SCHEMBL12487467 0.73 ALDH1A1 (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL14059371 0.72 ALDH1A1 (0.43) KDM4E
SCHEMBL22722172 0.71 ADRA2C (0.63) ADRA2CMC4RMC3RLIMK2
SCHEMBL11023051 0.71 MAOA (0.45)

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 10 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
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-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
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 ADRA2C 939/4885MC4R 775/4885MC3R 1038/4885
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 ADRA2C 939/4885MC4R 775/4885MC3R 1038/4885

“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.