SCHEMBL3552574

SCHEMBL3552574

N#Cc1cccc(N2CCCS2(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
DRD2 P14416 2/20 0.49
DRD3 P35462 1/20 0.49
ALOX5 P09917 1/20 0.48
TP53 P04637 7/20 0.46
MAPT P10636 1/20 0.44
NSD2 O96028 1/20 0.43
NOTUM Q6P988 1/20 0.43
SLC9A3 P48764 1/20 0.42

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
SCHEMBL18929676 0.81 CA1 (0.50) POLBTP53MAPT
SCHEMBL10192187 0.76 TP53 (0.64) POLBALOX5TP53MAPTSLC9A3
SCHEMBL1787817 0.76 POLB (0.56) POLBALOX5TP53MAPTSLC9A3
SCHEMBL12547064 0.76 POLB (0.56) POLBTP53MAPTSLC9A3
SCHEMBL2187675 0.76 POLB (0.60) POLBTP53MAPTSLC9A3
SCHEMBL13745531 0.76 POLB (0.56) POLBTP53MAPTSLC9A3
SCHEMBL23776612 0.76 UTRN (0.47)
SCHEMBL12209941 0.75 POLB (0.57) POLBTP53MAPTSLC9A3
SCHEMBL14286015 0.74 SLC6A2 (0.45) POLBTP53
SCHEMBL12545604 0.73 POLB (0.52) POLBTP53MAPTNOTUMSLC9A3

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 5 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
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
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 POLB 1595/4885DRD2 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.