SCHEMBL3555044

SCHEMBL3555044

N=C(N)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.85
PRSS1 P07477 3/20 0.85
PRSS2 P07478 2/20 0.85
PRSS3 P35030 2/20 0.85
TMPRSS6 Q8IU80 2/20 0.85
ST14 Q9Y5Y6 2/20 0.85
GRIN2D O15399 1/20 0.85
GRIN3B O60391 1/20 0.85
GRIN1 Q05586 1/20 0.85
GRIN2A Q12879 1/20 0.85
GRIN2B Q13224 1/20 0.85
GRIN2C Q14957 1/20 0.85
GRIN3A Q8TCU5 1/20 0.85
ITGB3 P05106 8/20 0.57
ITGA2B P08514 8/20 0.57
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
ALOX15 P16050 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
HPGD P15428 3/20 0.56

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
SCHEMBL8106249 0.98 F2 (0.89) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL12355710 0.92 F2 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL2403330 0.90 F2 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7316048 0.81 F2 (0.75) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL1397421 0.80 NPC1 (0.61) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL4767629 0.80 NPC1 (0.61) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL4873981 0.80 NPC1 (0.61) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL376904 0.79 F2 (0.72) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL28540508 0.79 F2 (0.73) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL13654718 0.78 ALDH1A1 (0.63) F2PRSS1PRSS2PRSS3TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 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-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 F2 3122/4885PRSS1 1242/4885PRSS2 2195/4885

“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.