SCHEMBL996766

SCHEMBL996766

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 1.00
LMNA P02545 2/20 0.50
BLM P54132 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ARG1 P05089 9/20 0.44
ARG2 P78540 6/20 0.44
CYP1A2 P05177 2/20 0.36
THRB P10828 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
HDAC3 O15379 1/20 0.36
GABBR2 O75899 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
SCHEMBL3831414 1.00 ODC1 (1.00) ODC1LMNABLMKDM4EMAPT
SCHEMBL3831417 1.00 ODC1 (1.00) ODC1LMNABLMKDM4EMAPT
Hydrochloric Acid SCHEMBL9586259 0.98 ODC1 (0.96) ODC1LMNABLMKDM4EMAPT
Hydrochloric Acid SCHEMBL9586263 0.98 ODC1 (0.96) ODC1LMNABLMKDM4EMAPT
Hydrochloric Acid SCHEMBL10778576 0.98 ODC1 (0.96) ODC1LMNABLMKDM4EMAPT
Hydrochloric Acid SCHEMBL10556045 0.96 ODC1 (0.92) ODC1LMNABLMKDM4EMAPT
SCHEMBL7204384 0.94 ODC1 (0.88) ODC1LMNABLMKDM4EMAPT
SCHEMBL7204381 0.94 ODC1 (0.88) ODC1LMNABLMKDM4EMAPT
SCHEMBL7198360 0.80 ODC1 (0.67) ODC1LMNABLMKDM4EMAPT
SCHEMBL7198367 0.80 ODC1 (0.67) ODC1LMNABLMKDM4EMAPT

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943189-A1 METHODS AND COMP0STIONS FOR TREATMENT OF DEMYELINATING DISEASES Pathologica LLC (US) 2015-11-18 EP disclosed
WO-2014110154-A1 METHODS AND COMP0STIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC (US) 2014-07-17 WO disclosed
EP-2453886-A2 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE Pathologica, LLC. (US) 2012-05-23 EP disclosed
WO-2011009039-A2 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-01-20 WO disclosed
WO-2009112505-A2 PLANTS HAVING IMPROVED RESISTANCE TO PATHOGENS BIOGEMMA (FR) 2009-09-17 WO disclosed
EP-2100962-A1 Plants having improved resistance to pathogens Biogemma (FR) 2009-09-16 EP disclosed
US-20080096974-A2 Polyamine-Metal Chelator Conjugates UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-04-24 US disclosed
WO-2007109178-A2 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-09-27 WO disclosed
US-20060211773-A1 Polyamine-metal chelator conjugates UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2006-09-21 US disclosed
EP-1667727-A2 POLYAMINE-METAL CHELATOR CONJUGATES University of Florida Research Foundation, Inc. (US) 2006-06-14 EP disclosed
EP-0357029-A2 Method for the production of (-) 2-difluoromethyl-ornithine MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed
US-4866206-A INHIBITORS OF ORNITHINE DECARBOXYLASE MERRELL DOW FRANCE ET CIE (FR) 1989-09-12 US disclosed
US-4743691-A INHIBITORS OF ORNITHINE DECARBOXYLASE MERRELL DOW FRANCE ET CIE (FR) 1988-05-10 US disclosed
US-4695588-A DECARBOXYLASE INHIBITORS MERCK & CO., INC. (US) 1987-09-22 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
US-4325961-A FLUOROMETHYLHISTIDINE, ESTERS, AND SALTS MERCK & CO., INC. (US) 1982-04-20 US disclosed
EP-0046710-A1 Preparation of aminoacetonitrile derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 EP disclosed
US-4288601-A A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUND USING SULFUR TETRAFLUORIDE AND BORON TRIFLUORIDE IN HYDROFLUORIC ACID MERCK & CO., INC. (US) 1981-09-08 US disclosed
US-4215221-A A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUNDS USING SULFUR TETRAFLUORIDE IN HYDROFLUORIC ACID AND ALUMINUM CHLORIDE MERCK & CO., INC. (US) 1980-07-29 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-20060211773-A1 Polyamine-metal chelator conjugates SLC40A1, SLC7A1, CATSPER1 ODC1 369/4885LMNA 1579/4885BLM 3506/4885
US-20080096974-A2 Polyamine-Metal Chelator Conjugates SLC7A1, SLC40A1, SRM ODC1 121/4885LMNA 1556/4885BLM 3868/4885

“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.