SCHEMBL994856

SCHEMBL994856

c1ccc(CONC2CCCNC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
KDM1A O60341 2/20 0.47
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
EED O75530 1/20 0.38
F10 P00742 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOA P21397 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL20936679 1.00 MAOB (0.47) MAOBKDM1ACHRNB2CHRNA4CHRM2
SCHEMBL30733533 1.00 MAOB (0.47) MAOBKDM1ACHRNB2CHRNA4CHRM2
Hydrochloric Acid SCHEMBL994709 0.98 MAOB (0.46) MAOBKDM1ACHRNB2CHRNA4CHRM2
Oxalic Acid SCHEMBL28136322 0.83 KMT2A (0.38) MAOBKDM1AF10MEN1ALDH1A1
SCHEMBL28524004 0.82 ALDH1A1 (0.43) MEN1ALDH1A1KMT2A
SCHEMBL3411535 0.82 KMT2A (0.47) MEN1ALDH1A1KMT2A
SCHEMBL4480785 0.80 EPHX2 (0.49) MEN1ALDH1A1KMT2A
SCHEMBL19872325 0.78 KDM1A (0.32) MAOBKDM1ACHRNB2CHRNA4CHRM2
SCHEMBL22710505 0.77 ALDH1A1 (0.53) MEN1ALDH1A1KMT2AHTR2C
SCHEMBL994345 0.76 SLC6A2 (0.52) MAOBKDM1ASLC6A2SLC6A4SLC6A3

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4272831-A2 DIAZABICYCLOOCTANONES AS INHIBITORS OF SERINE BETA-LACTAMASES Antabio SAS (FR) 2023-11-08 EP disclosed
EP-3766869-A1 SIMPLE PREPARATION METHOD FOR AVIBACTAM Xinfa Pharmaceutical Co., Ltd (CN) 2021-01-20 EP disclosed
EP-3670512-A1 DIAZABICYCLOOCTANONES AS INHIBITORS OF SERINE BETA-LACTAMASES Antabio SAS (FR) 2020-06-24 EP disclosed
WO-2020030761-A1 DIAZABICYCLOOCTANONES AS INHIBITORS OF SERINE BETA-LACTAMASES ANTABIO SAS (FR) 2020-02-13 WO disclosed
EP-2857401-B1 NOVEL -LACTAMASE INHIBITOR AND METHOD FOR PRODUCING SAME MEIJI SEIKA PHARMA CO LTD (JP) 2019-09-18 EP disclosed
CN-109912499-A AVM hereinafter Batan intermediate and preparation method thereof 江苏奥赛康药业股份有限公司 2019-06-21 CN disclosed
CN-108778270-A A kind of bactericidal composition and application thereof 山东轩竹医药科技有限公司 2018-11-09 CN disclosed
EP-3281942-A1 B-LACTAMASE INHIBITOR AND APPLICATION THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2018-02-14 EP disclosed
CN-107531709-A Beta lactamase restrainer and application thereof 山东轩竹医药科技有限公司 2018-01-02 CN disclosed
WO-2017167218-A1 ANTIBACTERIAL COMPOSITION AND USE THEREOF 山东轩竹医药科技有限公司 2017-10-05 WO disclosed
US-7112592-B2 topical bactericides and disinfectants for surgical instruments; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2006-09-26 US disclosed
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-08-24 US disclosed
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-03-02 US disclosed
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases AVENTIS PHARMA S.A. (FR) 2005-01-27 US disclosed
EP-1480644-A2 NOVEL HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA+LACTAMASES Aventis Pharma S.A. (FR) 2004-12-01 EP disclosed
EP-1307457-B1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-04-07 EP disclosed
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2003-10-23 US disclosed
WO-2003063864-A2 HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA LACTAMASES AVENTIS PHARMA S.A. (FR) 2003-08-07 WO disclosed
EP-1307457-A1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2003-05-07 EP disclosed
WO-2002010172-A1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2002-02-07 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 (4 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-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA MAOB 136/4885KDM1A 3696/4885CHRNB2 4878/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA MAOB 278/4885KDM1A 3941/4885CHRNB2 4875/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL MAOB 78/4885KDM1A 722/4885CHRNB2 4340/4885
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 MAOB 153/4885KDM1A 1354/4885CHRNB2 4865/4885

“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.