Ethylenediamine

Ethylenediamine

SCHEMBL565340

NCCN.NCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12

nearest known ligand 0.73

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
TDP1 Q9NUW8 5/20 0.73
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
PLCD1 P51178 1/20 0.61
MEN1 O00255 1/20 0.60
ABL1 P00519 1/20 0.60
LMNA P02545 1/20 0.60
PKM P14618 1/20 0.60
IDE P14735 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 1/20 0.60
RIN1 Q13671 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
F2 P00734 1/20 0.58
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
TPSAB1 Q15661 1/20 0.58

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
SCHEMBL3072383 0.99 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL10140280 0.99 TDP1 (0.74) TDP1CA12CA1CA2CA9
Ethylenediamine SCHEMBL16679417 0.97 TDP1 (0.70) TDP1CA12CA1CA2CA9
SCHEMBL30821562 0.96 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL15895090 0.96 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL24420141 0.96 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL26598596 0.96 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL25014977 0.96 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL10000338 0.96 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL3256514 0.96 TDP1 (0.72) TDP1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004686-B2 Lipid construct for delivery of insulin to a mammal SDG, INC. (US) 2018-06-26 US disclosed
US-20130267462-A1 Lipid Construct for Delivery of Insulin to a Mammal SDG, INC. 2013-10-10 US disclosed
US-20120035105-A1 Insulin Therapies for the Treatment of Diabetes, Diabetes Related Ailments, and/or Diseases or Conditions Other Than Diabetes or Diabetes Related Ailments SDG, INC. 2012-02-09 US 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-10004686-B2 Lipid construct for delivery of insulin to a mammal INSR, IAPP, GPR119 TDP1 4882/4885CA12 2944/4885CA1 2697/4885
US-20120035105-A1 Insulin Therapies for the Treatment of Diabetes, Diabetes Related Ailments, and/or Diseases or Conditions Other Than Diabetes or Diabetes Related Ailments IAPP, IDE, INSR TDP1 2829/4885CA12 4358/4885CA1 4861/4885
US-20130267462-A1 Lipid Construct for Delivery of Insulin to a Mammal INSR, IAPP, GPR119 TDP1 4882/4885CA12 2944/4885CA1 2697/4885

“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.