SCHEMBL3552519

SCHEMBL3552519

N#Cc1ccc2c(c1)nnn2-c1ccc2c(c1)nnn2O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
CTNNB1 P35222 7/20 0.36
NT5E P21589 2/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL3552731 0.83 KDM4E (0.42) KDM4ENPC1L3MBTL1GAAHPGD
SCHEMBL13610401 0.81 KDM4E (0.60) POLBMAPK1KDM4ENPC1L3MBTL1
SCHEMBL19915948 0.70 HCAR3 (0.50) POLBKDM4ENPC1GAAHPGD
SCHEMBL19915950 0.70 GAA (0.43) KDM4EGAAHPGDMAPTCCR6
SCHEMBL19915951 0.70 ALDH1A1 (0.48) KDM4ENPC1L3MBTL1GAAHPGD
SCHEMBL19848484 0.69 KDM4E (0.49) POLBMAPK1KDM4ENPC1L3MBTL1
SCHEMBL19848531 0.68 GAA (0.41) KDM4EGAAHPGDMAPTCCR6
SCHEMBL19915947 0.68 KCNMA1 (0.40) KDM4EGAAHPGDALDH1A1GLA
SCHEMBL28475538 0.68 GLA (0.44) KDM4EGAAMAPTALDH1A1GLA
SCHEMBL19848488 0.68 ALDH1A1 (0.42) KDM4ENPC1L3MBTL1GAAHPGD

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 PKM 323/4885POLB 1595/4885MAPK1 1754/4885

“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.