SCHEMBL3772506

SCHEMBL3772506

[CH2]CNCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
DGAT1 O75907 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP2D6 P10635 1/20 0.35
PTPRC P08575 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LATS1 O95835 1/20 0.32
VSIR Q9H7M9 1/20 0.32
CTSK P43235 3/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL783009 0.86 CA2 (0.41) CA2CA12CA14DGAT1MAOA
SCHEMBL6535041 0.82 MAOA (0.44) CA2CA12CA14DGAT1MAOA
SCHEMBL9612246 0.80 MAOA (0.43) CA2CA12CA14DGAT1MAOA
SCHEMBL7433191 0.80 CA12 (0.50) CA2CA12CA14DGAT1MAOA
SCHEMBL763067 0.80 CA12 (0.38) CA2CA12CA14DGAT1MAOA
SCHEMBL1278083 0.79 CA12 (0.35) CA2CA12CA14DGAT1MAOA
SCHEMBL25960668 0.79 CYP1A2 (0.38) CA2CA12CA14DGAT1MAOA
SCHEMBL19876856 0.79 EPHX2 (0.36) CA2CA12CA14DGAT1MAOA
SCHEMBL397677 0.78 CA2 (0.37) CA2CA12CA14DGAT1MAOA
SCHEMBL1841358 0.78 LATS1 (0.37) CA2CA12CA14DGAT1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805367-B Triazole pyrimidine derivative and preparation method and application thereof 郑州大学 2023-04-07 CN claimed
CN-114805367-A Triazole pyrimidine derivative and preparation method and application thereof 郑州大学 2022-07-29 CN claimed
CN-114805367-B Triazole pyrimidine derivative and preparation method and application thereof 郑州大学 2023-04-07 CN disclosed
CN-111615662-B Liquid crystal aligning agent and polymer JSR株式会社 2023-03-14 CN disclosed
CN-114805367-A Triazole pyrimidine derivative and preparation method and application thereof 郑州大学 2022-07-29 CN disclosed
CN-111615662-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, polymer and compound JSR株式会社 2020-09-01 CN disclosed
WO-2019202853-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ELEMENT, POLYMER AND COMPOUND JSR株式会社 2019-10-24 WO disclosed
EP-2500340-A1 2-Cyanophenyl Sulfonamide Derivatives Useful as Pesticides Syngenta Participations AG. (CH) 2012-09-19 EP disclosed
US-20100311582-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
US-7244846-B2 Substituted benzofuran-2-carboxamides derivatives MERCK PATENT GMBH (DE) 2007-07-17 US disclosed
US-20050075269-A1 N-(2-methoxyethyl)-5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}benzofuran-2-carboxamide; serotonin receptor antagonists, treating depression, anxiety states, panic attacks, obsessive-compulsive disorders, psychiatric illnesses, cerebral infarction, cerebral ischaemia, anxiolytic agents MERCK PATENT GMBH (DE) 2005-04-07 US disclosed
EP-1368346-A1 SUBSTITUTED BENZOFURAN-2-CARBOXAMIDES DERIVATIVES MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
WO-2002083666-A1 SUBSTITUTED BENZOFURAN-2-CARBOXAMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-24 WO 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 (2 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-20050075269-A1 N-(2-methoxyethyl)-5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}benzofuran-2-carboxamide; serotonin receptor antagonists, treating depression, anxiety states, panic attacks, obsessive-compulsive disorders, psychiatric illnesses, cerebral infarction, cerebral ischaemia, anxiolytic agents NPY2R, HTR1A, NPY1R CA2 4008/4885CA12 4618/4885CA14 4777/4885
US-20100311582-A1 CHEMICAL COMPOUNDS CBR3, CBR1, CCNY CA2 346/4885CA12 1252/4885CA14 2244/4885

“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.