SCHEMBL13456262

SCHEMBL13456262

NC(=O)OC1CCc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
IDO1 P14902 2/20 0.46
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
ANPEP P15144 2/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.39
FAAH O00519 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL30685660 0.87 IDO1 (0.54) PLAUIDO1ANPEPCA1CA2
SCHEMBL878023 0.84 MTNR1A (0.46) PLAUIDO1MTNR1AMTNR1BANPEP
SCHEMBL30612403 0.83 MTNR1A (0.53) PLAUIDO1MTNR1AMTNR1BANPEP
SCHEMBL9415738 0.83 MTNR1A (0.45) PLAUIDO1MTNR1AMTNR1BANPEP
SCHEMBL28571851 0.81 FAAH (0.41) FAAH
SCHEMBL28567950 0.81 FAAH (0.41) FAAH
SCHEMBL29113484 0.81 BRD4 (0.39) CA1CA2
SCHEMBL28567951 0.81 FAAH (0.41) FAAH
SCHEMBL18714043 0.80 MTNR1A (0.46) PLAUIDO1MTNR1AMTNR1BANPEP
SCHEMBL6659685 0.80 MTNR1A (0.43) PLAUIDO1MTNR1AMTNR1BANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071446-B Organic reaction in aqueous solution in the presence of hydroxyalkyl (alkyl) cellulose or alkylcellulose 艾伯维德国有限责任两合公司 2022-06-21 CN disclosed
EP-2099749-B1 C-H BOND AMINATION AND OLEFIN AZIRIDINATION WITH BETA-DIKETIMINATO COPPER CATALYSTS UNIV GEORGETOWN (US) 2015-09-23 EP disclosed
US-8471051-B2 C-H bond amination and olefin aziridination with β-diketiminato copper catalysts GEORGETOWN UNIVERSITY (US) 2013-06-25 US disclosed
US-20100056806-A1 C-H Bond Amination and Olefin Aziridination with Beta-Diketiminato Copper Catalysts GEORGETOWN UNIVERSITY (US) 2010-03-04 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-20100056806-A1 C-H Bond Amination and Olefin Aziridination with Beta-Diketiminato Copper Catalysts AOC2, AOC1, AOC3 PLAU 3953/4885IDO1 244/4885MTNR1A 1861/4885

“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.