SCHEMBL19344698

SCHEMBL19344698

CC(C)(C)OC(=O)NCCCn1ccc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.45
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
BRD4 O60885 2/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL2661800 0.92 DRD2 (0.43) DRD2CA1CA2CA12CA9
SCHEMBL31402230 0.80 TDP1 (0.36) TDP1MEN1KMT2A
SCHEMBL1862499 0.80 PTPN11 (0.43) CA1CA2CA12CA9BRD4
SCHEMBL19330171 0.79 ALDH1A1 (0.37) TDP1MEN1KMT2A
SCHEMBL31402325 0.79 TDP1 (0.40) TDP1MEN1KMT2A
SCHEMBL31402252 0.78 EP300 (0.41) CA1CA2TDP1
SCHEMBL31402244 0.78 EP300 (0.41) CA1CA2TDP1
SCHEMBL31402264 0.78 EP300 (0.41) CA1CA2TDP1
SCHEMBL5903807 0.78 HDAC1 (0.46) DRD2CCNCCDK8
SCHEMBL25014613 0.78 DRD2 (0.46) DRD2CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426248-B1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
EP-3426248-B1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
US-10407421-B2 Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP (US) 2019-09-10 US disclosed
US-20190071436-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2019-03-07 US disclosed
WO-2017155765-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2017-09-14 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-10407421-B2 Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MGAM, BMX, XDH DRD2 3315/4885CA1 3866/4885CA2 1637/4885
US-20190071436-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, BMX, XDH DRD2 3315/4885CA1 3866/4885CA2 1637/4885

“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.