SCHEMBL3553878

SCHEMBL3553878

O=C1CN(c2cccc(C(=O)O)c2)C(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KMT2A Q03164 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ GAA P10253 4/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ L3MBTL1 Q9Y468 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ KMO O15229 1/20 0.48
▸ POLB P06746 3/20 0.47
▸ BLM P54132 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MYC P01106 1/20 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
Hydantoin SCHEMBL3552566 0.89 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL29607387 0.85 DDB1 (0.64) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL21409360 0.85 DDB1 (0.64) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4399681 0.82 F10 (0.56) DDB1CRBN
SCHEMBL3552569 0.80 DDB1 (0.39) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL7544193 0.80 ALDH1A1 (0.53) ALDH1A1HPGDKMT2AMEN1GAA
SCHEMBL4392508 0.80 DDB1 (0.40) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL8076294 0.79 DDB1 (0.47) ALDH1A1HPGDKMT2AMEN1GAA
SCHEMBL746783 0.77 CRBN (0.66) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL7257909 0.77 DDB1 (0.71) ALDH1A1CYP3A4KMT2AMEN1GAA

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 ALDH1A1 104/4885HPGD 1151/4885CYP1A2 222/4885

“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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