SCHEMBL340075

SCHEMBL340075

NCC[C@@H]1CCc2ccc3c(c21)CCO3

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.62
MTNR1B P49286 9/20 0.62
ABCB11 O95342 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
USP2 O75604 1/20 0.59
HTR2C P28335 10/20 0.40
HTR2A P28223 8/20 0.40
HTR2B P41595 5/20 0.40

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
SCHEMBL12394492 1.00 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL340076 1.00 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL11917773 1.00 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
Hydrochloric Acid SCHEMBL339856 0.99 MTNR1A (0.60) MTNR1AMTNR1BABCB11SIGMAR1USP2
Hydrochloric Acid SCHEMBL339855 0.99 MTNR1A (0.60) MTNR1AMTNR1BABCB11SIGMAR1USP2
Hydrochloric Acid SCHEMBL29794521 0.99 MTNR1A (0.60) MTNR1AMTNR1BABCB11SIGMAR1USP2
Bromide SCHEMBL2879815 0.99 MTNR1A (0.60) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28361707 0.85 MTNR1A (0.65) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28357968 0.85 MTNR1A (0.65) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL12056685 0.85 MTNR1A (0.67) MTNR1AMTNR1BABCB11SIGMAR1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170970-A Preparation method of ramelteon 北京万全德众医药生物技术有限公司 2020-05-19 CN claimed
EP-1792899-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-07-09 EP claimed
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US claimed
US-8097737-B2 Process for production of optically active amine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-17 US claimed
US-20110207949-A1 PROCESS FOR THE PREPARATION OF RAMELTEON Watson Pharma Private Limited (IN) 2011-08-25 US claimed
EP-2344468-A1 PROCESS FOR THE PREPARATION OF RAMELTEON Watson Pharma Private Limited (IN) 2011-07-20 EP claimed
WO-2011027323-A1 PROCESS FOR THE PREPARATION OF RAMELTEON RANBAXY LABORATORIES LIMITED (IN) 2011-03-10 WO claimed
WO-2011027319-A1 PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR RAMELTEON RANBAXY LABORATORIES LIMITED (IN) 2011-03-10 WO claimed
WO-2010055481-A1 PROCESS FOR THE PREPARATION OF RAMELTEON Watson Pharma Private Limited (IN) 2010-05-20 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
WO-2021210920-A1 METHOD FOR PRODUCING RAMELTEON, AND INTERMEDIATE COMPOUND USED FOR SAME 제이투에이치바이오텍 주식회사 2021-10-21 WO disclosed
WO-2021210920-A1 METHOD FOR PRODUCING RAMELTEON, AND INTERMEDIATE COMPOUND USED FOR SAME 제이투에이치바이오텍 주식회사 2021-10-21 WO disclosed
CN-111170970-A Preparation method of ramelteon 北京万全德众医药生物技术有限公司 2020-05-19 CN disclosed
CN-104119307-A Preparation method for (S)-2-(1,6,7,8-tetrahydro-2H-indeno[5,4-B]furan-8-yl)ethylamine CISEN PHARMACEUTICAL CO LTD 2014-10-29 CN disclosed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
WO-1999063977-A2 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE, TRIAZOLAM AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-16 WO 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 (3 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 2236/4885ABCB11 3751/4885
US-20110207949-A1 PROCESS FOR THE PREPARATION OF RAMELTEON CYP2B6, CYP2A6, UGT1A6 MTNR1A 190/4885MTNR1B 111/4885ABCB11 1856/4885
US-20090036521-A1 Process for Production of Optically Active Amine Derivatives INMT, TYR, PNMT MTNR1A 3077/4885MTNR1B 2236/4885ABCB11 3751/4885

“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.