SCHEMBL6988773

SCHEMBL6988773

N=CCNC/C=C\CC[C@@](N)(CF)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.42
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 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
SCHEMBL6989001 0.87 MEN1 (0.45) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL6992300 0.87 MEN1 (0.45) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL6987908 0.82 NOS1 (0.33) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL6990958 0.79 ODC1 (0.40) ODC1
SCHEMBL6990960 0.79 ODC1 (0.40) ODC1
SCHEMBL537593 0.79 GGT1 (0.39) MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL6475315 0.79 GGT1 (0.39) MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL2638240 0.79 GGT1 (0.39) MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL7072151 0.78 ODC1 (0.35) ODC1
SCHEMBL6195794 0.78 ODC1 (0.41) ODC1

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 ODC1 898/4885MEN1 4444/4885ALDH1A1 309/4885

“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.