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Sugi Predict / Compounds / Ethylenediamine

Ethylenediamine

Ethylenediamine

SCHEMBL5093336

CC(C)(C)OC(N)=O.NCCN

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Ethylenediamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CHRM2 P08172 2/20 0.34
▸ CHRM4 P08173 2/20 0.34
▸ CHRM5 P08912 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ CHRM3 P20309 2/20 0.34
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31

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
Propylamine SCHEMBL27713757 0.90 LMNA (0.42) ALOX15DGAT1LMNAHSD17B10MAOA
Ethylamine SCHEMBL5574544 0.90 ALOX15 (0.42) ALOX15DGAT1LMNAHSD17B10MAOA
SCHEMBL28902273 0.89 DGAT1 (0.42) ALOX15DGAT1LMNAHSD17B10MAOA
SCHEMBL28325001 0.89 DGAT1 (0.42) ALOX15DGAT1LMNAHSD17B10MAOA
SCHEMBL30234788 0.89 DGAT1 (0.42) ALOX15DGAT1LMNAHSD17B10MAOA
SCHEMBL3094 0.89 — —
Propane SCHEMBL27464056 0.86 ALOX15 (0.43) ALOX15DGAT1LMNAHSD17B10MAOA
Methylamine SCHEMBL25305181 0.86 DGAT1 (0.40) ALOX15DGAT1LMNAHSD17B10MAOA
Bromide SCHEMBL30216953 0.86 — —
Hydrogen Sulfide SCHEMBL28861724 0.86 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449477-B2 7-phenyl-isoquinoline-5-sulfonylamino derivatives as inhibitors of akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-11-11 — — US disclosed
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms ELI LILLY AND COMPANY 2007-02-15 — — US disclosed
EP-1689719-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2006-08-16 — — EP disclosed
WO-2005054202-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2005-06-16 — — 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 (1 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-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms POLI, HRAS, CHUK ALOX15 3476/4885DGAT1 1401/4885LMNA 1895/4885

“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.