SCHEMBL338471

SCHEMBL338471

NCC=C1CCc2ccc3c(c21)CCO3

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 9/20 0.39
MTNR1A P48039 9/20 0.39
HTR2C P28335 8/20 0.37
HTR2A P28223 7/20 0.37
HTR2B P41595 5/20 0.37

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
SCHEMBL338470 1.00 MTNR1B (0.39) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL4688545 1.00 MTNR1B (0.39) MTNR1BMTNR1AHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL339102 0.98 MTNR1B (0.38) MTNR1BMTNR1AHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL339103 0.98 MTNR1B (0.38) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL805876 0.84 MTNR1A (0.41) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL14327017 0.81 MTNR1A (0.42) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL1646076 0.81 MTNR1B (0.39) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL12394472 0.80 MTNR1A (0.40) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL803827 0.80 MTNR1A (0.41) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL339505 0.76 MTNR1B (0.36) MTNR1BMTNR1AHTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8609871-B2 Process for production of optically active amine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-17 US claimed
US-8097737-B2 Process for production of optically active amine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-17 US claimed
WO-2011027319-A1 PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR RAMELTEON RANBAXY LABORATORIES LIMITED (IN) 2011-03-10 WO claimed
WO-2011027323-A1 PROCESS FOR THE PREPARATION OF RAMELTEON RANBAXY LABORATORIES LIMITED (IN) 2011-03-10 WO claimed
US-20090036521-A1 Process for Production of Optically Active Amine Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-05 US claimed
EP-0885210-B2 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA PHARMACEUTICAL (JP) 2008-06-18 EP claimed
EP-1792899-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2007-06-06 EP claimed
EP-0885210-B1 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 EP claimed
US-6218429-B1 TREATING MELATONIN RELATED DISORDERS (E.G. CIRCARDIAN RHYTHMS, SLEEP-AWAKE CYCLES, TIME ZONE CHANGES, SLEEP DISORDERS) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US claimed
EP-1792899-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-07-09 EP disclosed
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-8609871-B2 Process for production of optically active amine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-17 US disclosed
US-6218429-B1 TREATING MELATONIN RELATED DISORDERS (E.G. CIRCARDIAN RHYTHMS, SLEEP-AWAKE CYCLES, TIME ZONE CHANGES, SLEEP DISORDERS) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US 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 (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-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT MTNR1B 2236/4885MTNR1A 3077/4885HTR2C 54/4885
US-20090036521-A1 Process for Production of Optically Active Amine Derivatives INMT, TYR, PNMT MTNR1B 2236/4885MTNR1A 3077/4885HTR2C 54/4885

“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.