SCHEMBL25307809

SCHEMBL25307809

O=C1NCCCCCN1C1CCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDA P32320 2/20 0.46
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL10982543 1.00 CDA (0.46) CDAKDM4EGAAPOLBOPRM1
SCHEMBL6082054 1.00 CDA (0.46) CDAKDM4EGAAPOLBOPRM1
SCHEMBL11215508 0.94 CDA (0.44) CDAKDM4EGAAPOLBOPRM1
SCHEMBL19271812 0.92 CDA (0.42) CDAKDM4EOPRM1OPRL1ALDH1A1
SCHEMBL5951577 0.90 CDA (0.38) CDAOPRM1OPRL1ADORA3ADORA2A
SCHEMBL3093245 0.88 PDE7A (0.41) KDM4EGAAPOLBOPRM1OPRL1
SCHEMBL17138754 0.88 CDA (0.42) CDAKDM4EGAAALDH1A1NOS3
SCHEMBL5866375 0.86 CDA (0.46) CDAKDM4EGAAPOLBNOS3
SCHEMBL5827421 0.85 CDA (0.44) CDAKDM4EALDH1A1NOS3NOS1
SCHEMBL9202125 0.85 KDM4E (0.39) KDM4EGAAPOLBOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3833665-B1 DIAZABICYCLOOCTANONES AS INHIBITORS OF SERINE BETA-LACTAMASES ANTABIO SAS (FR) 2023-07-19 EP claimed
US-11905286-B2 Diazabicyclooctanones as inhibitors of serine beta-lactamases ANTABIO SAS (FR) 2024-02-20 US disclosed
CN-117384155-A Diazabicyclooctanones as serine beta-lactamase inhibitors 安塔比奥公司 2024-01-12 CN disclosed
CN-117384155-A Diazabicyclooctanones as serine beta-lactamase inhibitors 安塔比奥公司 2024-01-12 CN disclosed
WO-2024007883-A1 CLASS OF THIAZOLAMINE-DIAZABICYCLOOCTANONE CONJUGATED DERIVATIVES AND USE THEREOF 福安药业集团重庆三禾兴医药科技有限公司 2024-01-11 WO disclosed
CN-111954671-B Diazabicyclooctanones as serine beta-lactamase inhibitors 安塔比奥公司 2023-09-01 CN disclosed
CN-111954671-B Diazabicyclooctanones as serine beta-lactamase inhibitors 安塔比奥公司 2023-09-01 CN disclosed
CN-116144728-A Culture medium of klebsiella pneumoniae resistant to ceftazidime avermectin 湖北民族大学附属民大医院 2023-05-23 CN disclosed
CN-111072660-B Simple preparation method of rilibatan 新发药业有限公司 2021-05-18 CN disclosed
CN-111954671-A Diazabicyclooctanones as serine beta-lactamase inhibitors 安塔比奥公司 2020-11-17 CN disclosed
CN-111954671-A Diazabicyclooctanones as serine beta-lactamase inhibitors 安塔比奥公司 2020-11-17 CN 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-11905286-B2 Diazabicyclooctanones as inhibitors of serine beta-lactamases STS, BCKDK, PEPD CDA 1518/4885KDM4E 1255/4885GAA 366/4885

“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.