SCHEMBL3556883

SCHEMBL3556883

N=C(N)c1ccc(-n2cccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.55
PRSS1 P07477 5/20 0.55
PRSS3 P35030 5/20 0.55
PRSS2 P07478 4/20 0.55
ST14 Q9Y5Y6 3/20 0.55
TMPRSS6 Q8IU80 2/20 0.55
AOC2 O75106 1/20 0.53
F10 P00742 2/20 0.50
F12 P00748 1/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
PKM P14618 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
WDR5 P61964 1/20 0.48

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
SCHEMBL1477782 0.78 AOC2 (0.63) AOC2LMNABLMVHLELOC
Guanidine SCHEMBL4169570 0.77 MAPT (0.45) F2PRSS1PRSS3PRSS2AOC2
SCHEMBL8704862 0.76 AOC2 (0.65) AOC2LMNABLMRECQLKMT2A
SCHEMBL537030 0.75 LMNA (0.77) F2PRSS1PRSS3PRSS2ST14
SCHEMBL4397630 0.75 AOC2 (0.50) AOC2LMNABLMVHLELOC
SCHEMBL12263881 0.75 PRSS1 (0.52) F2PRSS1PRSS3PRSS2ST14
Hydrochloric Acid SCHEMBL8707141 0.75 AOC2 (0.63) AOC2LMNABLMRECQLKMT2A
SCHEMBL27374956 0.75 CYP3A4 (0.60) F2PRSS1PRSS3PRSS2ST14
Hydrochloric Acid SCHEMBL10668867 0.74 WDR5 (0.48) F2PRSS1PRSS3PRSS2ST14
Hydrochloric Acid SCHEMBL30999366 0.72 PRSS1 (0.78) F2PRSS1PRSS3PRSS2ST14

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 1242/4885PRSS3 1798/4885

“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.