SCHEMBL6192511

SCHEMBL6192511

CC(=N)NC/C=C(/C)CC[C@](C)(N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.41
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
TRPV1 Q8NER1 6/20 0.33
TRPA1 O75762 1/20 0.33
FNTA P49354 5/20 0.32
FNTB P49356 4/20 0.32
PGGT1B P53609 2/20 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
Hydrochloric Acid SCHEMBL6193735 0.98 GGT1 (0.40) GGT1ARG1ARG2TRPV1TRPA1
SCHEMBL6191738 0.85 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6191732 0.85 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6194118 0.85 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6192024 0.85 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6194121 0.85 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6192031 0.85 GGT1 (0.39) GGT1ARG1ARG2
Hydrochloric Acid SCHEMBL6191657 0.84 GGT1 (0.38) GGT1ARG1ARG2
Hydrochloric Acid SCHEMBL6189679 0.84 GGT1 (0.38) GGT1ARG1ARG2
SCHEMBL6193325 0.83 GGT1 (0.37) GGT1ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951889-B2 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2005-10-04 US 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
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-6951889-B2 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2005-10-04 US disclosed
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 disclosed
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 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
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 (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-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.