SCHEMBL22387199

SCHEMBL22387199

CN1C[C@@H](CCN2C[C@@H](CO)OC2=O)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CALML3 P27482 4/20 0.36
BRD4 O60885 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
GRM2 Q14416 2/20 0.32

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
SCHEMBL14168202 0.87
SCHEMBL10151432 0.87
SCHEMBL10131303 0.87
SCHEMBL15757516 0.80 MAPK1 (0.46) MAOAMAOBMAPK1L3MBTL1CALML3
SCHEMBL9226555 0.80 MAPK1 (0.46) MAOAMAOBMAPK1L3MBTL1CALML3
SCHEMBL9228870 0.80 MAPK1 (0.46) MAOAMAOBMAPK1L3MBTL1CALML3
SCHEMBL10249590 0.80 BRD4 (0.46) MAOAMAOBBRD4IRAK4GRM2
SCHEMBL27296384 0.80 MAOA (0.41) MAOAMAOBMAPK1L3MBTL1CALML3
SCHEMBL9492421 0.78 L3MBTL1 (0.57) MAOAMAOBMAPK1L3MBTL1GRM2
SCHEMBL14168549 0.77 MAOA (0.39) MAOAMAOBMAPK1L3MBTL1CALML3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2020-09-03 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-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM MAOA 619/4885MAOB 89/4885MAPK1 3553/4885

“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.