Sugi Predict

Sugi Predict / Compounds / SCHEMBL994595

SCHEMBL994595

SCHEMBL994595

O=C(O)N1CCCC(NCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 8/20 0.54
▸ BACE1 P56817 8/20 0.54
▸ BCHE P06276 7/20 0.54
▸ FABP6 P51161 1/20 0.53
▸ DRD4 P21917 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TLR8 Q9NR97 1/20 0.48
▸ TLR7 Q9NYK1 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL2241661 1.00 ACHE (0.54) ACHEBACE1BCHEFABP6DRD4
SCHEMBL1562904 0.96 ACHE (0.52) ACHEBACE1BCHEFABP6DRD4
SCHEMBL16269315 0.91 ACHE (0.60) ACHEBACE1BCHEFABP6DRD4
SCHEMBL1189971 0.91 ACHE (0.60) ACHEBACE1BCHEFABP6DRD4
SCHEMBL4080791 0.89 FABP6 (0.60) ACHEBACE1BCHEFABP6DRD4
SCHEMBL20766009 0.88 BCHE (0.53) ACHEBACE1BCHEKMT2AALDH1A1
SCHEMBL20765861 0.88 BCHE (0.53) ACHEBACE1BCHEKMT2AALDH1A1
SCHEMBL3487240 0.88 POLB (0.56) ACHEBACE1BCHEGAAKMT2A
SCHEMBL17604857 0.88 BCHE (0.53) ACHEBACE1BCHEKMT2AALDH1A1
SCHEMBL4342706 0.86 TAAR1 (0.66) DRD4GAAKMT2AALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114717211-B Imine reductase mutant M5 and application thereof in synthesis of nitrogen heterocycle chiral amine 江苏集萃分子工程研究院有限公司 2023-06-02 — — CN disclosed
CN-114717211-A Imine reductase mutant M5 and application thereof in synthesis of azacyclo chiral amine 江苏集萃分子工程研究院有限公司 2022-07-08 — — CN disclosed
US-8178554-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2012-05-15 — — US disclosed
US-8148540-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ASTRAZENECA (SE) 2012-04-03 — — US disclosed
US-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-06 — — US disclosed
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-09-01 — — US disclosed
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-01-27 — — US disclosed
US-7732610-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. (FR) 2010-06-08 — — US disclosed
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES NOVEXEL (FR) 2010-02-25 — — US disclosed
US-7638529-B2 anti-bacterial agents; 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) 2009-12-29 — — US disclosed
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2007-12-27 — — US disclosed
CN-1994301-A Heterocyclic compounds which are active as inhibitors of beta lactamases AVENTIS PHARMA SA (FR) 2007-07-11 — — CN disclosed
CN-1289500-C Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AVENTIS PHARMA SA (FR) 2006-12-13 — — CN 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
CN-1655781-A Novel heterocyclic compounds having beta-lactamase inhibitor activity AVENTIS PHARMA SA (FR) 2005-08-17 — — CN disclosed
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases AVENTIS PHARMA S.A. (FR) 2005-01-27 — — US disclosed
CN-1468242-A Azabicyclic compounds, method for the production thereof, and use thereof as medicaments, in particular as antibacterials ���ĵ�˹ҩƷ��˾ 2004-01-14 — — CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL ACHE 10/4885BACE1 1/4885BCHE 13/4885
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA ACHE 1647/4885BACE1 3793/4885BCHE 2258/4885
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL ACHE 10/4885BACE1 1/4885BCHE 13/4885
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA ACHE 1647/4885BACE1 3793/4885BCHE 2258/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA ACHE 1756/4885BACE1 3436/4885BCHE 1971/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA ACHE 1647/4885BACE1 3793/4885BCHE 2258/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL ACHE 10/4885BACE1 1/4885BCHE 13/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA ACHE 1647/4885BACE1 3793/4885BCHE 2258/4885
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 ACHE 2500/4885BACE1 3800/4885BCHE 2150/4885

“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.