SCHEMBL3559706

SCHEMBL3559706

N#Cc1cccc(N2CC(=O)NC2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.58
ALOX5 P09917 1/20 0.52
DRD2 P14416 6/20 0.50
DRD3 P35462 5/20 0.50
KCNH2 Q12809 3/20 0.47
FADS1 O60427 2/20 0.45
DDB1 Q16531 2/20 0.44
CRBN Q96SW2 2/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
GRM2 Q14416 1/20 0.43
NOTUM Q6P988 1/20 0.41
DRD4 P21917 2/20 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
SCHEMBL16705239 0.83 NSD2 (0.64) NSD2ALOX5DRD2DRD3KCNH2
SCHEMBL6740517 0.80 POLB (0.46) DDB1CRBNCTSGCMA1GRM2
SCHEMBL7257909 0.77 DDB1 (0.71) DDB1CRBNGRM2
SCHEMBL3951237 0.76 NSD2 (0.56) NSD2ALOX5DRD2DRD3KCNH2
SCHEMBL5182235 0.76 DDB1 (0.47) NSD2DRD2DRD3KCNH2DDB1
SCHEMBL1788429 0.76 MEN1 (0.58) ALOX5DDB1CRBN
SCHEMBL8076294 0.76 DDB1 (0.47) DDB1CRBNGRM2
SCHEMBL746783 0.74 CRBN (0.66) ALOX5DDB1CRBNCTSGCMA1
SCHEMBL8380654 0.74 SRD5A1 (0.38) NSD2CTSGCMA1
SCHEMBL10814936 0.73 MAPT (0.60) ALOX5DRD2DRD3FADS1DDB1

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 NSD2 3375/4885ALOX5 1449/4885DRD2 1163/4885

“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.