SCHEMBL2425755

SCHEMBL2425755

N#CCCN(CCC#N)CCCCN(CCC#N)CCC#N

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.68
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 3/20 0.36
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP3A4 P08684 1/20 0.33
DRD3 P35462 1/20 0.32
MAPK1 P28482 1/20 0.30

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
SCHEMBL15591987 0.97 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL15591981 0.97 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL15591979 0.97 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL17038665 0.97 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL714217 0.97 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL714027 0.97 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL15591992 0.94 LCK (0.70) LCKALDH1A1TDP1TSHRLOX
SCHEMBL10051136 0.94 LCK (0.76) LCKALDH1A1TDP1TSHRLOX
SCHEMBL714869 0.94 LCK (0.76) LCKALDH1A1TDP1TSHRLOX
SCHEMBL13844443 0.91 LCK (0.73) LCKALDH1A1TDP1TSHRLOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073321-B Preparation method of 1, 4-bis [ bis (2-cyanoethyl) amino ] butane 山东新华制药股份有限公司 2023-10-13 CN claimed
CN-115073321-A Preparation method of 1, 4-bis [ bis (2-cyanoethyl) amino ] butane 山东新华制药股份有限公司 2022-09-20 CN claimed
EP-2557074-A1 Process for the preparation of N,N,N',N'-tetrakis(3-aminopropyl)-1,4-butanediamine Astellas Pharma Inc. (JP) 2013-02-13 EP claimed
CN-115073321-B Preparation method of 1, 4-bis [ bis (2-cyanoethyl) amino ] butane 山东新华制药股份有限公司 2023-10-13 CN disclosed
CN-115073321-B Preparation method of 1, 4-bis [ bis (2-cyanoethyl) amino ] butane 山东新华制药股份有限公司 2023-10-13 CN disclosed
CN-115073321-B Preparation method of 1, 4-bis [ bis (2-cyanoethyl) amino ] butane 山东新华制药股份有限公司 2023-10-13 CN disclosed
CN-115073321-A Preparation method of 1, 4-bis [ bis (2-cyanoethyl) amino ] butane 山东新华制药股份有限公司 2022-09-20 CN disclosed
CN-115073321-A Preparation method of 1, 4-bis [ bis (2-cyanoethyl) amino ] butane 山东新华制药股份有限公司 2022-09-20 CN disclosed
CN-115073321-A Preparation method of 1, 4-bis [ bis (2-cyanoethyl) amino ] butane 山东新华制药股份有限公司 2022-09-20 CN disclosed
US-20210323844-A1 FORMING A TREATED SWITCHABLE POLYMER AND USE THEREOF IN A FORWARD OSMOSIS SYSTEM QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-10-21 US 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-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-2557074-A1 Process for the preparation of N,N,N',N'-tetrakis(3-aminopropyl)-1,4-butanediamine Astellas Pharma Inc. (JP) 2013-02-13 EP disclosed
EP-2557074-A1 Process for the preparation of N,N,N',N'-tetrakis(3-aminopropyl)-1,4-butanediamine Astellas Pharma Inc. (JP) 2013-02-13 EP 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 LCK 1510/4885ALDH1A1 3894/4885TDP1 3577/4885
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 LCK 1510/4885ALDH1A1 3894/4885TDP1 3577/4885

“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.