Sugi Predict

Sugi Predict / Compounds / SCHEMBL5745494

SCHEMBL5745494

SCHEMBL5745494

CN1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.66
▸ ADRA2A P08913 3/20 0.66
▸ CHRM1 P11229 3/20 0.66
▸ DRD1 P21728 3/20 0.66
▸ DRD3 P35462 3/20 0.66
▸ SLC6A3 Q01959 3/20 0.66
▸ KCNH2 Q12809 3/20 0.66
▸ CYP2D6 P10635 3/20 0.66
▸ OPRM1 P35372 3/20 0.66
▸ CHRM4 P08173 1/20 0.66
▸ CHRM5 P08912 1/20 0.66
▸ ADORA3 P0DMS8 1/20 0.66
▸ CHRM3 P20309 1/20 0.66
▸ ADRA1D P25100 1/20 0.66
▸ HTR2A P28223 1/20 0.66
▸ HTR2C P28335 1/20 0.66
▸ HRH1 P35367 1/20 0.66
▸ HTR2B P41595 1/20 0.66
▸ HTR1A P08908 2/20 0.55
▸ TBXA2R P21731 2/20 0.55

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
SCHEMBL16822596 0.85 L3MBTL3 (0.51) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL3069120 0.84 L3MBTL3 (0.67) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL3263017 0.84 L3MBTL3 (0.72) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL6840171 0.83 L3MBTL3 (0.70) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL3311978 0.83 L3MBTL3 (0.70) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL16822533 0.83 L3MBTL1 (0.49) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL16822484 0.81 CHRM1 (0.46) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL4262575 0.81 L3MBTL3 (0.50) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL6843065 0.80 KMT2A (0.70) CYP2D6TSHRCYP2C19L3MBTL3L3MBTL1
SCHEMBL7811621 0.80 CYP3A4 (0.58) CHRM2ADRA2ACHRM1DRD1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3088401-A1 (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2016-11-02 — — EP disclosed
EP-3088401-A1 (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2016-11-02 — — EP disclosed
US-9375430-B2 Monoacylglycerol lipase inhibitors for the treatment of metabolic diseases and related disorders JANSSEN PHARMACEUTICA NV (BE) 2016-06-28 — — US disclosed
US-9174998-B2 (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-({6-[3-(piperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-11-03 — — US disclosed
US-9174998-B2 (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-({6-[3-(piperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-11-03 — — US disclosed
US-9174998-B2 (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-({6-[3-(piperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-11-03 — — US disclosed
WO-2015098853-A1 (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND エーザイ・アール・アンド・ディー・マネジメント株式会社 2015-07-02 — — WO disclosed
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound PRISM PHARMA CO., LTD. (JP) 2015-06-25 — — US disclosed
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound PRISM PHARMA CO., LTD. (JP) 2015-06-25 — — US disclosed
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound PRISM PHARMA CO., LTD. (JP) 2015-06-25 — — US disclosed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US disclosed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US disclosed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US disclosed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US disclosed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US disclosed
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 — — EP disclosed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 — — US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 — — US disclosed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 — — WO disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 — — 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 (7 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CHRM2 4853/4885ADRA2A 4572/4885CHRM1 4766/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CHRM2 4853/4885ADRA2A 4572/4885CHRM1 4766/4885
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CHRM2 2872/4885ADRA2A 794/4885CHRM1 2454/4885
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CHRM2 2872/4885ADRA2A 794/4885CHRM1 2454/4885
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CHRM2 2872/4885ADRA2A 794/4885CHRM1 2454/4885
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound WNT1, WNT3A, WNT3 CHRM2 923/4885ADRA2A 349/4885CHRM1 475/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CHRM2 2872/4885ADRA2A 794/4885CHRM1 2454/4885

“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.