SCHEMBL3553901

SCHEMBL3553901

O=[N+]1CCc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
MAOA P21397 2/20 0.39
TSHR P16473 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.33
CES1 P23141 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
OXTR P30559 1/20 0.33
CA2 P00918 2/20 0.33
CYP2A6 P11509 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR2C P28335 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
SCHEMBL4728144 0.76 MAOA (0.42) MAOBMAOATSHRABCG2CES1
SCHEMBL28898666 0.68 ITGB2 (0.44) MAOBMAOAABCG2ITGB2ICAM1
SCHEMBL30360775 0.67 MAOA (0.70) MAOBMAOATSHRABCG2CES1
SCHEMBL971330 0.67 MAOA (0.70) MAOBMAOATSHRABCG2CES1
SCHEMBL5079833 0.67 MAOA (0.34) MAOBMAOA
Hydrochloric Acid SCHEMBL8209470 0.66 MAOA (0.33) MAOBMAOA
Hydrochloric Acid SCHEMBL8205757 0.66 MAOA (0.33) MAOBMAOA
SCHEMBL7142311 0.65 TSHR (0.42) MAOBMAOATSHRCES1CYP2A6
SCHEMBL3649668 0.65 MAOB (0.38) MAOBMAOATSHRCES1CYP2A6
Bicarbonate SCHEMBL8663458 0.64 SRD5A1 (0.40) MAOBMAOACES1CYP2A6GAA

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 18 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 claimed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP claimed
EP-1959951-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. Hoffmann-la Roche AG (CH) 2008-08-27 EP claimed
WO-2007063012-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO claimed
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 claimed
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
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
EP-1959951-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
EP-1853625-A2 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF TUMOR GENENTECH, INC. (US) 2007-11-14 EP disclosed
WO-2007063012-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO 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
WO-2006081272-A2 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF TUMOR GENENTECH, INC. (US) 2006-08-03 WO disclosed
EP-1490385-A2 JAGGED 2 INHIBITORS FOR INDUCING APOPTOSIS ISIS PHARMACEUTICALS, INC. (US) 2004-12-29 EP disclosed
US-20030232440-A1 Antisense modulation of STAT1 expression ISIS PHARMACEUTICALS INC. 2003-12-18 US disclosed
WO-2003102242-A1 NOTCH 1 INHIBITORS FOR INDUCING APOPOTOSIS ISIS PHARMACEUTICALS, INC. (US) 2003-12-11 WO disclosed
WO-2003102008-A1 ANTISENSE MODULATION OF TRANSCRIPTION FACTOR DP-1 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2003-12-11 WO disclosed
WO-2003077848-A2 JAGGED 2 INHIBITORS FOR INDUCING APOPTOSIS ISIS PHARMACEUTICALS, INC. (US) 2003-09-25 WO disclosed
WO-2003057142-A2 ANTISENSE MODULATION OF MACROPHAGE INFLAMMATORY PROTEIN 3-ALPHA EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2003-07-17 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-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 MAOB 1130/4885MAOA 1684/4885TSHR 2243/4885

“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.