SCHEMBL4688545

SCHEMBL4688545

NC/C=C1/CCc2ccc3c(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
SCHEMBL338471 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207949-A1 PROCESS FOR THE PREPARATION OF RAMELTEON Watson Pharma Private Limited (IN) 2011-08-25 US disclosed
US-20110207949-A1 PROCESS FOR THE PREPARATION OF RAMELTEON Watson Pharma Private Limited (IN) 2011-08-25 US disclosed
EP-0885210-B2 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA PHARMACEUTICAL (JP) 2008-06-18 EP disclosed
WO-2008062468-A2 PROCESS FOR THE PREPARATION OF OPTICALLY PURE INDENO [5,4-B] FURAN DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed
WO-2008062468-A2 PROCESS FOR THE PREPARATION OF OPTICALLY PURE INDENO [5,4-B] FURAN DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed
EP-1550655-A1 Bicyclic intermediates Takeda Pharmaceutical Company Limited (JP) 2005-07-06 EP disclosed
EP-0885210-B1 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 EP disclosed
EP-1199304-A1 Bicyclic compounds and pharmaceutical composition containing tricyclic compound for treating or preventing sleep disorders Takeda Chemical Industries, Ltd. (JP) 2002-04-24 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110207949-A1 PROCESS FOR THE PREPARATION OF RAMELTEON CYP2B6, CYP2A6, UGT1A6 MTNR1B 111/4885MTNR1A 190/4885HTR2C 241/4885

“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.