SCHEMBL7069203

SCHEMBL7069203

CC(=N)NCCC#CC[C@](C)(N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.35
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33

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
SCHEMBL7072467 1.00 GGT1 (0.35) GGT1ARG1ARG2
SCHEMBL5839573 0.87 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6853744 0.79
SCHEMBL6190037 0.78 GGT1 (0.44) GGT1ARG1ARG2
Hydrochloric Acid SCHEMBL6191553 0.76 GGT1 (0.43) GGT1ARG1ARG2
Hydrochloric Acid SCHEMBL27598214 0.76 GGT1 (0.43) GGT1ARG1ARG2
SCHEMBL7071598 0.76 GGT1 (0.30) GGT1
SCHEMBL2757819 0.72 ARG1 (0.54) GGT1ARG1ARG2
SCHEMBL2712951 0.71 ARG1 (0.53) GGT1ARG1ARG2
SCHEMBL5838684 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317418-A2 2-AMINO-2-ALKYL-4 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP claimed
US-20020103398-A1 2-Amino-2-alky-4 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2002-08-01 US claimed
WO-2002022557-A2 2-AMINO-2-ALKYL-4 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO claimed
EP-1317418-A2 2-AMINO-2-ALKYL-4 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP disclosed
US-20020103398-A1 2-Amino-2-alky-4 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2002-08-01 US disclosed
WO-2002022557-A2 2-AMINO-2-ALKYL-4 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-20020103398-A1 2-Amino-2-alky-4 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors ALOX12, PTGIS, ALOX5 GGT1 1044/4885ARG1 499/4885ARG2 286/4885

“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.