SCHEMBL11501587

SCHEMBL11501587

NCCN1CCN(CCN2CCN(CCN)CC2)CC1

nearest known ligand 0.93

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.93
ACE2 Q9BYF1 1/20 0.50
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIGMAR1 Q99720 3/20 0.46
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL179843 0.96 ALOX15 (1.00) ALOX15ACE2KEAP1SMN1; SMN2SIGMAR1
SCHEMBL3975418 0.96 ALOX15 (1.00) ALOX15ACE2KEAP1SMN1; SMN2SIGMAR1
SCHEMBL242967 0.96
SCHEMBL11541738 0.93 ALOX15 (0.93) ALOX15ACE2KEAP1SMN1; SMN2SIGMAR1
SCHEMBL1306821 0.91 ALOX15 (0.77) ALOX15ACE2KEAP1SMN1; SMN2SIGMAR1
SCHEMBL13661134 0.88 ALOX15 (0.72) ALOX15ACE2KEAP1SMN1; SMN2SIGMAR1
SCHEMBL8735020 0.87 ALOX15 (0.81) ALOX15ACE2KEAP1SMN1; SMN2SIGMAR1
SCHEMBL22691893 0.87 ALOX15 (0.81) ALOX15ACE2KEAP1SMN1; SMN2SIGMAR1
SCHEMBL1307205 0.86 KEAP1 (0.70) ALOX15ACE2KEAP1SMN1; SMN2SIGMAR1
Hydrochloric Acid SCHEMBL3671864 0.84 ALOX15 (0.77) ALOX15ACE2KEAP1SMN1; SMN2SIGMAR1

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-10995077-B2 Process to prepare higher ethylene amines and ethylene amine derivatives NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2021-05-04 US disclosed
US-20190047971-A1 PROCESS TO PREPARE HIGHER ETHYLENE AMINES AND ETHYLENE AMINE DERIVATIVES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2019-02-14 US disclosed
WO-2017137530-A1 PROCESS TO PREPARE HIGHER ETHYLENE AMINES AND ETHYLENE AMINE DERIVATIVES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2017-08-17 WO disclosed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 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 (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-10995077-B2 Process to prepare higher ethylene amines and ethylene amine derivatives H1-5, H1-4, PNMT ALOX15 1441/4885ACE2 3284/4885KEAP1 274/4885
US-20190047971-A1 PROCESS TO PREPARE HIGHER ETHYLENE AMINES AND ETHYLENE AMINE DERIVATIVES H1-5, H1-4, PNMT ALOX15 1441/4885ACE2 3284/4885KEAP1 274/4885

“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.