SCHEMBL2638239

SCHEMBL2638239

CC(=N)NC/C=C/CCC(C)(N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.42
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
ACLY P53396 1/20 0.34
BLM P54132 1/20 0.32

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
SCHEMBL1843909 1.00 GGT1 (0.42) GGT1ARG1ARG2ACLYBLM
SCHEMBL909828 1.00 GGT1 (0.42) GGT1ARG1ARG2ACLYBLM
SCHEMBL27626186 1.00 GGT1 (0.42) GGT1ARG1ARG2ACLYBLM
SCHEMBL6060538 1.00 GGT1 (0.42) GGT1ARG1ARG2ACLYBLM
SCHEMBL120903 1.00 GGT1 (0.42) GGT1ARG1ARG2ACLYBLM
SCHEMBL909829 1.00 GGT1 (0.42) GGT1ARG1ARG2ACLYBLM
Hydrochloric Acid SCHEMBL2713502 0.98 GGT1 (0.41) GGT1ARG1ARG2ACLYBLM
Hydrochloric Acid SCHEMBL6193942 0.98 GGT1 (0.41) GGT1ARG1ARG2ACLYBLM
Hydrochloric Acid SCHEMBL6193436 0.98 GGT1 (0.41) GGT1ARG1ARG2ACLYBLM
SCHEMBL6194043 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534668-B1 CRYSTALLINE SOLID FORM OF (2S-5Z)-2-AMINO-7-(ETHANIMIDOYLAMINO)-2-METHYLHEPT-5-ENOIC ACID PHARMACIA CORP (US) 2012-05-02 EP claimed
JP-4708024-B2 2011-06-22 JP claimed
US-6998503-B2 Crystalline solid form of (2S,5Z)-2-amino-7-(ethanimidoylamino)-2-methylhept-5-enoic acid PHARMACIA CORPORATION (US) 2006-02-14 US claimed
EP-1534668-A1 CRYSTALLINE SOLID FORM OF (2S-5Z)-2-AMINO-7-(ETHANIMIDOYLAMINO)-2-METHYLHEPT-5-ENOIC ACID Pharmacia Corporation (US) 2005-06-01 EP claimed
US-20050113451-A1 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2005-05-26 US claimed
EP-1317421-B1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORP (US) 2005-02-23 EP claimed
US-20040132822-A1 Crystalline solid form of (2S,5Z)-2-amino-7-(ethanimidoylamino)-2-methylhept-5-enoic acid PHARMACIA LLC 2004-07-08 US claimed
WO-2004018412-A1 CRYSTALLINE SOLID FORM OF (2S-5Z)-2-AMINO-7-(ETHANIMIDOYLAMINO)-2-METHYLHEPT-5-ENOIC ACID PHARMACIA CORPORATION (US) 2004-03-04 WO claimed
EP-1317421-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP claimed
US-20020132849-A1 2-Amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-09-19 US claimed
WO-2002022562-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO claimed
US-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 US disclosed
EP-3019478-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Inc. (US) 2016-05-18 EP disclosed
WO-2015006280-A9 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-14 WO disclosed
WO-2015006280-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-15 WO disclosed
US-20040132822-A1 Crystalline solid form of (2S,5Z)-2-amino-7-(ethanimidoylamino)-2-methylhept-5-enoic acid PHARMACIA LLC 2004-07-08 US disclosed
WO-2004018412-A1 CRYSTALLINE SOLID FORM OF (2S-5Z)-2-AMINO-7-(ETHANIMIDOYLAMINO)-2-METHYLHEPT-5-ENOIC ACID PHARMACIA CORPORATION (US) 2004-03-04 WO disclosed
EP-1317421-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP disclosed
US-20020132849-A1 2-Amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-09-19 US disclosed
WO-2002022562-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 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 (4 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-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection NOS2, NOS1, NOS3 GGT1 438/4885ARG1 80/4885ARG2 50/4885
US-20040132822-A1 Crystalline solid form of (2S,5Z)-2-amino-7-(ethanimidoylamino)-2-methylhept-5-enoic acid SLC7A5, SLC6A15, METTL14 GGT1 3674/4885ARG1 2930/4885ARG2 3737/4885
US-20020132849-A1 2-Amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PTGIS, ALOX5, ALOX15 GGT1 803/4885ARG1 583/4885ARG2 275/4885
US-20050113451-A1 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PTGIS, ALOX5, ALOX15 GGT1 803/4885ARG1 583/4885ARG2 275/4885

“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.