SCHEMBL3553397

SCHEMBL3553397

COc1ccc(-c2noc([C@H]3CCCCN3OC(=O)C(F)(F)F)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CPT1A P50416 2/20 0.57
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GRM5 P41594 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TSHR P16473 2/20 0.47

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
SCHEMBL3551820 0.78 CPT1A (0.67) CPT1AMEN1KMT2AGRM5ALDH1A1
SCHEMBL3551817 0.78 CPT1A (0.67) CPT1AMEN1KMT2AGRM5ALDH1A1
SCHEMBL5635354 0.77 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3557278 0.76 CPT1A (0.71) CPT1AGRM5ALDH1A1KDM4EGAA
SCHEMBL3554283 0.76 CPT1A (0.71) CPT1AGRM5ALDH1A1KDM4EGAA
SCHEMBL3552469 0.74 CPT1A (0.85) CPT1A
SCHEMBL3552472 0.74 CPT1A (0.85) CPT1A
SCHEMBL3551378 0.73 CPT1A (1.00) CPT1A
SCHEMBL3549152 0.73 CPT1A (0.86) CPT1A
SCHEMBL3549155 0.73 CPT1A (0.86) CPT1A

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 3 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
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 CPT1A 1/4885MEN1 4651/4885KMT2A 2644/4885

“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.

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