SCHEMBL7204381

SCHEMBL7204381

NCCCC[C@@](N)(CF)C(=O)O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.88
ARG1 P05089 9/20 0.47
ARG2 P78540 6/20 0.47
LMNA P02545 2/20 0.44
BLM P54132 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PLG P00747 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL7204384 1.00 ODC1 (0.88) ODC1ARG1ARG2LMNABLM
SCHEMBL3831417 0.94 ODC1 (1.00) ODC1ARG1ARG2LMNABLM
SCHEMBL996766 0.94 ODC1 (1.00) ODC1ARG1ARG2LMNABLM
SCHEMBL3831414 0.94 ODC1 (1.00) ODC1ARG1ARG2LMNABLM
Hydrochloric Acid SCHEMBL10778576 0.92 ODC1 (0.96) ODC1ARG1ARG2LMNABLM
Hydrochloric Acid SCHEMBL9586263 0.92 ODC1 (0.96) ODC1ARG1ARG2LMNABLM
Hydrochloric Acid SCHEMBL9586259 0.92 ODC1 (0.96) ODC1ARG1ARG2LMNABLM
Hydrochloric Acid SCHEMBL10556045 0.90 ODC1 (0.92) ODC1ARG1ARG2LMNABLM
SCHEMBL29359936 0.85 ODC1 (0.63) ODC1ARG1ARG2LMNABLM
SCHEMBL9501854 0.83 ODC1 (0.61) ODC1ARG1ARG2LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187296-B1 SUCH AS ALPHA-DIFLUOROMETHYL LYSINE (DEML) OR ALPHA-MONOFLUOROMETHYL LYSINE (MFML) THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2001-02-13 US claimed
US-6103220-A Lysine decarboxylase inhibitors for the prevention and treatment of periodontal disease THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2000-08-15 US claimed
US-6602910-B2 Treating cancer in a patient comprising administering an effective amount of substantially purified D enantiomer of difluoromethylornithine ILEX ONCOLOGY, INC. 2003-08-05 US disclosed
US-20020045663-A1 D-enantiomer of DFMO and methods of use therefor ILEX ONCOLOGY, INC. (US) 2002-04-18 US disclosed
US-6187296-B1 SUCH AS ALPHA-DIFLUOROMETHYL LYSINE (DEML) OR ALPHA-MONOFLUOROMETHYL LYSINE (MFML) THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2001-02-13 US disclosed
US-6103220-A Lysine decarboxylase inhibitors for the prevention and treatment of periodontal disease THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2000-08-15 US disclosed
EP-0046710-B1 PREPARATION OF AMINOACETONITRILE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1984-06-13 EP disclosed
US-4405530-A Process for preparing fluorinated amino-nitriles MERRELL TORAUDE ET COMPAGNIE (FR) 1983-09-20 US disclosed
EP-0046710-A1 Preparation of aminoacetonitrile derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 EP 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-20020045663-A1 D-enantiomer of DFMO and methods of use therefor DHODH, DDT, HADHB ODC1 34/4885ARG1 605/4885ARG2 819/4885

“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.