SCHEMBL2108622

SCHEMBL2108622

C=CCNCc1ccc(OC)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.73
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL2567547 0.85 APLNR (0.69) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL783785 0.85 APLNR (1.00) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL20565545 0.83 POLB (0.52) APLNRMEN1KMT2ANPC1RAB9A
SCHEMBL6099643 0.82 APLNR (0.80) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL7768853 0.82 APLNR (0.86) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL13596595 0.81 APLNR (0.63) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL712690 0.81 APLNR (0.72) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL12522890 0.80 APLNR (0.83) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL24817719 0.80 APLNR (0.65) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL18964965 0.80 APLNR (0.65) APLNRHTR2AHTR2CHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388593-A1 CEREBLON E3 LIGASE BINDING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PRODUCTION METHOD THEREFOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2025-12-25 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 US disclosed
US-10829500-B2 Pyridyl-triazabicycles HOFFMANN-LA ROCHE INC. (US) 2020-11-10 US disclosed
US-20190352312-A1 PYRIDYL-TRIAZABICYCLES HOFFMANN-LA ROCHE INC. 2019-11-21 US disclosed
US-10414780-B2 Pyridyl-triazabicycles HOFFMANN-LA ROCHE INC. (US) 2019-09-17 US disclosed
EP-3172206-B1 PYRIDYL-TRIAZABICYCLES HOFFMANN LA ROCHE (CH) 2019-01-30 EP disclosed
US-20180312528-A1 PYRIDYL-TRIAZABICYCLES HOFFMANN-LA ROCHE INC. 2018-11-01 US disclosed
US-20180194779-A1 PYRIDYL-TRIAZABICYCLES F. HOFFMANN-LA ROCHE AG (CH) 2018-07-12 US disclosed
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
WO-2007020190-A1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
WO-2007020190-A1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 US disclosed
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 US disclosed
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 US disclosed
US-20060173043-A1 Use of novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2006-08-03 US disclosed
EP-1626961-A1 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2006-02-22 EP disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO disclosed
WO-2004101523-A1 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2004-11-25 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 (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-20190352312-A1 PYRIDYL-TRIAZABICYCLES BACE1, BACE2, PSEN1 APLNR 2405/4885HTR2A 1262/4885HTR2C 1741/4885
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 APLNR 79/4885HTR2A 904/4885HTR2C 1353/4885
US-20180194779-A1 PYRIDYL-TRIAZABICYCLES BACE1, BACE2, PSEN1 APLNR 2361/4885HTR2A 1306/4885HTR2C 1909/4885
US-10414780-B2 Pyridyl-triazabicycles BACE1, BACE2, PSEN1 APLNR 2405/4885HTR2A 1262/4885HTR2C 1741/4885
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system BACE1, BACE2, BRCA1 APLNR 918/4885HTR2A 2589/4885HTR2C 1959/4885
US-20250388593-A1 CEREBLON E3 LIGASE BINDING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PRODUCTION METHOD THEREFOR CRBN, CUL1, CBL APLNR 1931/4885HTR2A 3539/4885HTR2C 2713/4885
US-20060173043-A1 Use of novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same MALT1, BRCA1, MCL1 APLNR 2201/4885HTR2A 3255/4885HTR2C 2064/4885
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 APLNR 272/4885HTR2A 50/4885HTR2C 43/4885
US-10829500-B2 Pyridyl-triazabicycles BACE1, BACE2, PSEN1 APLNR 2405/4885HTR2A 1262/4885HTR2C 1741/4885
US-20180312528-A1 PYRIDYL-TRIAZABICYCLES BACE1, BACE2, PSEN1 APLNR 2405/4885HTR2A 1262/4885HTR2C 1741/4885

“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.