SCHEMBL3549892

SCHEMBL3549892

N#Cc1cccc(-n2cn[nH]c2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
ALOX5 P09917 1/20 0.46
GRM5 P41594 6/20 0.45
NSD2 O96028 1/20 0.44
NOX4 Q9NPH5 1/20 0.42
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
NOTUM Q6P988 1/20 0.40
XDH P47989 1/20 0.40

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
SCHEMBL21382993 0.77 HTT (0.49) HTTGRM5
SCHEMBL1786748 0.76 HTT (0.60) HTTALOX5ALDH1A1PKM
SCHEMBL23931446 0.76 HTT (0.65) HTTALOX5ALDH1A1PKMNOTUM
SCHEMBL17938248 0.74 DRD2 (0.45) HTTDRD2DRD3ALOX5GRM5
SCHEMBL29411156 0.74 DRD2 (0.45) HTTDRD2DRD3ALOX5GRM5
SCHEMBL3518937 0.74 HTT (0.62) HTTALDH1A1PKMXDH
SCHEMBL15601923 0.72 HTT (0.56) HTTALOX5ALDH1A1PKMNOTUM
SCHEMBL31402337 0.72 HTT (0.56) HTTNSD2ALDH1A1
SCHEMBL21434821 0.70 HTT (0.54) HTTALDH1A1PKM
SCHEMBL16705239 0.69 NSD2 (0.64) DRD2DRD3ALOX5NSD2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101321525-B Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE 2013-01-30 CN disclosed
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
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
EP-1959951-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. Hoffmann-la Roche AG (CH) 2008-08-27 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

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 HTT 3779/4885DRD2 1163/4885DRD3 911/4885

“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.