SCHEMBL3556449

SCHEMBL3556449

O=C(O)C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.78
CES1 P23141 5/20 0.78
CPT1B Q92523 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
SLC6A2 P23975 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CHRND Q07001 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
PLA2G7 Q13093 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL29798141 0.88 CES1 (1.00) CES2CES1MEN1KMT2ACHRNA1
SCHEMBL12302152 0.83 HDAC1 (0.61) CES2CES1CPT1BKMT2ARAB9A
SCHEMBL29798063 0.83 CES2 (0.79) CES2CES1RAB9ANPC1
SCHEMBL28475432 0.83 CES2 (0.79) CES2CES1RAB9ANPC1
SCHEMBL5202387 0.82 CES2 (0.78) CES2CES1MEN1KMT2ACHRNA1
SCHEMBL29349680 0.81 CES2 (0.70) CES2CES1MEN1KMT2ACHRNA1
SCHEMBL27151 0.81 CES2 (0.70) CES2CES1MEN1KMT2ACHRNA1
SCHEMBL15137054 0.81 CES2 (0.52) CES2CES1CPT1BMEN1KMT2A
SCHEMBL10884738 0.81 CES2 (0.52) CES2CES1CPT1BRAB9ANPC1
SCHEMBL7162401 0.81 CES2 (0.52) CES2CES1CPT1BMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423394-B Synthesis method of 1,3, 4-oxadiazole heterocyclic compound 常州大学 2021-11-23 CN claimed
CN-111423394-B Synthesis method of 1,3, 4-oxadiazole heterocyclic compound 常州大学 2021-11-23 CN disclosed
CN-111423394-A Synthesis method of 1,3, 4-oxadiazole heterocyclic compound 常州大学 2020-07-17 CN disclosed
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR CES2 1865/4885CES1 2157/4885CPT1B 2144/4885

“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.