Sugi Predict

Sugi Predict / Compounds / SCHEMBL994657

SCHEMBL994657

SCHEMBL994657

C=CCOC(=O)[C@H]1CC[C@H](NOCc2ccccc2)CN1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ FAAH O00519 1/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ BCHE P06276 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34

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
SCHEMBL994656 1.00 TSHR (0.38) TSHRALDH1A1GAAFAAHDPP8
SCHEMBL994655 1.00 TSHR (0.38) TSHRALDH1A1GAAFAAHDPP8
SCHEMBL994689 0.91 TSHR (0.43) TSHRALDH1A1GAATGM2BACE1
SCHEMBL994687 0.91 TSHR (0.43) TSHRALDH1A1GAATGM2BACE1
SCHEMBL994688 0.91 TSHR (0.43) TSHRALDH1A1GAATGM2BACE1
SCHEMBL15107121 0.90 DPP8 (0.41) TSHRALDH1A1FAAHDPP8DPP9
SCHEMBL16013527 0.89 TSHR (0.48) TSHRALDH1A1GAABACE1
SCHEMBL14296735 0.89 TSHR (0.48) TSHRALDH1A1GAABACE1
SCHEMBL3095804 0.89 TSHR (0.48) TSHRALDH1A1GAABACE1
SCHEMBL15309564 0.89 TSHR (0.48) TSHRALDH1A1GAABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676777-B2 Compounds useful for producing an optically active diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2017-06-13 — — US disclosed
EP-2657234-B1 OPTICALLY-ACTIVE DIAZABICYCLOOCTANE DERIVATIVE AND METHOD FOR MANUFACTURING SAME MEIJI SEIKA PHARMA CO LTD (JP) 2017-01-11 — — EP disclosed
US-20160137645-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-05-19 — — US disclosed
US-9284273-B2 Compounds useful for producing an optically active diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-03-15 — — US disclosed
US-20150239840-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-27 — — US disclosed
US-9035062-B2 Process for preparing a compound useful for producing an optically active diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-05-19 — — US disclosed
US-20140303375-A1 PROCESS FOR PREPARING A COMPOUND USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND Meiji Seika Pharma. Co., Ltd. (JP) 2014-10-09 — — US disclosed
US-8772490-B2 Optically active diazabicyclooctane derivatives and process for preparing the same MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-07-08 — — US disclosed
EP-2657234-A1 OPTICALLY-ACTIVE DIAZABICYCLOOCTANE DERIVATIVE AND METHOD FOR MANUFACTURING SAME Meiji Seika Pharma Co., Ltd. (JP) 2013-10-30 — — EP disclosed
US-20120165533-A1 OPTICALLY ACTIVE DIAZABICYCLOOCTANE DERIVATIVES AND PROCESS FOR PREPARING THE SAME MEIJI SEIKA PHARMA CO., LTD. (JP) 2012-06-28 — — 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-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-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
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-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 (10 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-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TSHR 4671/4885ALDH1A1 2392/4885GAA 105/4885
US-20120165533-A1 OPTICALLY ACTIVE DIAZABICYCLOOCTANE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DCXR, CBR1, DECR1 TSHR 303/4885ALDH1A1 1488/4885GAA 226/4885
US-20140303375-A1 PROCESS FOR PREPARING A COMPOUND USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND TBC1D15, TBC1D5, TERT TSHR 450/4885ALDH1A1 505/4885GAA 1108/4885
US-20160137645-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND CBR1, CBR3, DOHH TSHR 1104/4885ALDH1A1 594/4885GAA 1895/4885
US-20150239840-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND TERT, TBC1D5, TBC1D15 TSHR 751/4885ALDH1A1 1067/4885GAA 738/4885
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TSHR 4671/4885ALDH1A1 2392/4885GAA 105/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA TSHR 4642/4885ALDH1A1 1915/4885GAA 92/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TSHR 4671/4885ALDH1A1 2392/4885GAA 105/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TSHR 4671/4885ALDH1A1 2392/4885GAA 105/4885
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 TSHR 4260/4885ALDH1A1 865/4885GAA 84/4885

“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.