SCHEMBL338965

SCHEMBL338965

O=C1CCc2ccc3c(c21)CCO3

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.44
MTNR1B P49286 14/20 0.44
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ABCB11 O95342 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
USP2 O75604 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
SCHEMBL12056696 0.78 MTNR1A (0.41) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL803827 0.74 MTNR1A (0.41) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL25732142 0.74 LMNA (0.42) MTNR1A
SCHEMBL4347797 0.73 MTNR1A (0.43) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28357714 0.73 MTNR1A (0.43) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL13615626 0.73 MTNR1A (0.43) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL12394472 0.71 MTNR1A (0.40) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL27866082 0.70 PBRM1 (0.32)
SCHEMBL4688545 0.70 MTNR1B (0.39) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL338470 0.70 MTNR1B (0.39) MTNR1AMTNR1BHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116856183-A Method for manufacturing antibacterial and antiviral synthetic leather 苏州丰欣新材料科技有限公司 2023-10-10 CN claimed
CN-113402490-B Preparation method of 1,2,6, 7-tetrahydro-8H-indeno [5,4-b ] furan-8-one 白银京宇新药业有限公司 2023-01-03 CN claimed
CN-113861113-A Preparation and application of fused ring pyridine compound and derivative thereof 中国科学院福建物质结构研究所 2021-12-31 CN claimed
CN-113402490-A Preparation method of 1,2,6, 7-tetrahydro-8H-indeno [5,4-b ] furan-8-one 白银京宇新药业有限公司 2021-09-17 CN claimed
CN-113045524-A Synthesis method of ramelteon intermediate 河南牧业经济学院 2021-06-29 CN claimed
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US claimed
US-20130079397-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-28 US claimed
EP-2537842-A1 Crystals of (S)-N-[2-(2,6,7,8-Tetrahydro-1H-indeno[5,4-b]furan-8-yl)ethyl]propionamide Takeda Pharmaceutical Company Limited (JP) 2012-12-26 EP claimed
US-20120088826-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US claimed
WO-2012035303-A2 A NOVEL PROCESS FOR SYNTHESIS OF RAMELTEON, AND KEY INTERMEDIATES FOR THE SYNTHESIS OF RAMELTEON CIPLA LIMITED ET AL (IN) 2012-03-22 WO claimed
WO-2011027319-A1 PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR RAMELTEON RANBAXY LABORATORIES LIMITED (IN) 2011-03-10 WO claimed
WO-2010041271-A2 PROCESS FOR PREPARATION OF (S)-N-[2-(1,6,7,8-TETRAHYDRO-2H-INDENO[5,4-B]FURAN-8-YL)ETHYL] PROPIONAMIDE AND NOVEL INTERMEDIATES THEREOF USV LIMITED (IN) 2010-04-15 WO claimed
US-20090036521-A1 Process for Production of Optically Active Amine Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-05 US claimed
EP-1792899-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2007-06-06 EP claimed
CN-115894143-B Palladium catalyzed double ligand unguided preparation method for deuterated aromatic compound 宁波萃英化学技术有限公司 2024-05-28 CN disclosed
CN-116856183-A Method for manufacturing antibacterial and antiviral synthetic leather 苏州丰欣新材料科技有限公司 2023-10-10 CN disclosed
WO-2023122754-A1 PROCESSES AND INTERMEDIATES FOR PREPARING GB13, GB22 AND HIMGALINE THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0885210-A1 Tricylic compounds having binding affinity for melatonin receptors, their production and use Takeda Chemical Industries, Ltd. (JP) 1998-12-23 EP disclosed
WO-1997032871-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-12 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 (4 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-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT MTNR1A 3077/4885MTNR1B 2236/4885HTR2A 26/4885
US-20090036521-A1 Process for Production of Optically Active Amine Derivatives INMT, TYR, PNMT MTNR1A 3077/4885MTNR1B 2236/4885HTR2A 26/4885
US-20120088826-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT MTNR1A 3077/4885MTNR1B 2236/4885HTR2A 26/4885
US-20130079397-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT MTNR1A 3077/4885MTNR1B 2236/4885HTR2A 26/4885

“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.