SCHEMBL6989714

SCHEMBL6989714

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.37
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
TRPA1 O75762 1/20 0.30

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
SCHEMBL6989884 0.84 GGT1 (0.36) GGT1ARG1ARG2
SCHEMBL6988958 0.84 GGT1 (0.36) GGT1ARG1ARG2
SCHEMBL6989888 0.84 GGT1 (0.36) GGT1ARG1ARG2
SCHEMBL6988278 0.84 GGT1 (0.36) GGT1ARG1ARG2
SCHEMBL6988281 0.84 GGT1 (0.36) GGT1ARG1ARG2
SCHEMBL6989843 0.84 GGT1 (0.36) GGT1ARG1ARG2
SCHEMBL6989839 0.84 GGT1 (0.36) GGT1ARG1ARG2
SCHEMBL6990121 0.82 GGT1 (0.34) GGT1ARG1ARG2
SCHEMBL6990128 0.82 GGT1 (0.34) GGT1ARG1ARG2
SCHEMBL6192511 0.81 GGT1 (0.41) GGT1ARG1ARG2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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

“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.