SCHEMBL5029237

SCHEMBL5029237

c1coc(N2CCNCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR2C P28335 1/20 0.41
PLD1 Q13393 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39

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
SCHEMBL20458913 0.93 CHRNB2 (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27538736 0.88 ADRB1 (0.39) ADRB1HTR3EHTR3BHTR3AHTR3D
Pyridine SCHEMBL27687558 0.88 PLD1 (0.47) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3349858 0.80 ALDH1A1 (0.41) KDM4EALDH1A1
SCHEMBL761104 0.80
SCHEMBL4607483 0.78 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL28990876 0.77 PLD1 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL28143517 0.77 PRKDC (0.53) KDM4EALDH1A1
SCHEMBL21047591 0.73 PRKDC (0.40) KDM4EALDH1A1
SCHEMBL31373496 0.72 ADRA1A (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164495-B Covalent targeting of E3 ligases 加利福尼亚大学董事会 2025-04-22 CN disclosed
CN-113164495-A Covalent targeting of E3 ligase 加利福尼亚大学董事会 2021-07-23 CN disclosed
CN-107286166-B Substituted 1,3,4, 5-tetrahydro-6H-pyrrolo [4,3,2-EF ] [2] benzazepin-6-one derivatives 上海勋和医药科技有限公司 2020-03-31 CN disclosed
CN-106699670-B Benzimidazolyl piperazine compounds and its preparation method and pharmaceutical composition 沈阳海王生物技术有限公司 2019-11-19 CN disclosed
CN-106420754-B The purposes of benzo five-membered Azacyclyl bridged piperazine derivatives 沈阳海王生物技术有限公司 2019-11-05 CN disclosed
CN-103833658-B BTA base piperazine compounds and its preparation method and pharmaceutical composition 沈阳海王生物技术有限公司 2018-03-20 CN disclosed
CN-103833643-B Benzimidazolyl piperazine compound and preparation method and pharmaceutical composition thereof 沈阳海王生物技术有限公司 2018-01-02 CN disclosed
US-9802929-B2 Benzo five-membered nitrogen heterocyclic piperidine or piperazine derivatives and preparation methods and pharmaceutical compositions thereof SHENYANG HAIWANG BIOTECHNOLOGY CO., LTD. (CN) 2017-10-31 US disclosed
CN-106699670-A Benzimidazolyl piperazine compounds, preparation method thereof and pharmaceutical composition 辽宁艾美生物医药产业有限公司 2017-05-24 CN disclosed
CN-106420754-A Use of benzo five-membered nitrogen-containing heterocyclic piperazine derivative 辽宁艾美生物医药产业有限公司 2017-02-22 CN disclosed
EP-1861407-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-12-05 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 WO disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS 2006-10-12 US disclosed
WO-2006102191-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2006-09-28 WO disclosed
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US disclosed
US-4940710-A 7-(substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-10 US disclosed
EP-0230053-A2 7-(Substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP disclosed
US-4647684-A Process for the production of 4-amino-6,7-dimethoxy-2-[4-(furo-2-yl)-piperazin-1-yl]-quinazoline and physiologically compatible salts thereof LUDWIG HEUMANN & CO. GMBH (DE) 1987-03-03 US disclosed
EP-0146642-A1 Process for the preparation of 4-amino-6,7-dimethoxy-2-(4-(furoyl-2)-piperazin-1-yl)-quinazoline and its physiologically acceptable salt LUDWIG HEUMANN & CO GMBH (DE) 1985-07-03 EP 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 (2 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-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS MIF, MMP12, MSR1 ADRB1 1040/4885HTR3E 3127/4885HTR3B 3244/4885
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors MIF, MMP12, MSR1 ADRB1 1040/4885HTR3E 3127/4885HTR3B 3244/4885

“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.