SCHEMBL7068832

SCHEMBL7068832

CC(=N)NCCCC#CC(C)(N)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
PAOX Q6QHF9 2/20 0.32
EPHX2 P34913 2/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL6853744 0.91
SCHEMBL7162914 0.82 EPHX2 (0.31) EPHX2
SCHEMBL7068833 0.77
SCHEMBL2757819 0.71 ARG1 (0.54) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL7072467 0.71 GGT1 (0.35)
SCHEMBL7069203 0.71 GGT1 (0.35)
SCHEMBL2712951 0.70 ARG1 (0.53) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL28334310 0.70 ARG1 (0.53) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL7072192 0.70
Hydrochloric Acid SCHEMBL2713261 0.69 ARG1 (0.51) KDM4EMAPK1HIF1APAOXADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317417-A2 2-AMINO-2-ALKYL-3 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP claimed
US-20020072630-A1 2-amino-2-alkyl-3 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2002-06-13 US claimed
WO-2002022558-A2 2-AMINO-2-ALKYL-3 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO claimed
US-20020072630-A1 2-amino-2-alkyl-3 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2002-06-13 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 (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-20020072630-A1 2-amino-2-alkyl-3 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PTGIS, NOS3, ALOX12 KDM4E 1922/4885MAPK1 1695/4885HIF1A 845/4885

“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.