SCHEMBL4688733

SCHEMBL4688733

CCC(=O)NCC[C@@H]1CCc2cc(Br)c(O)c(CCO)c21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.51
MTNR1B P49286 20/20 0.51
NQO2 P16083 5/20 0.51
ABCB11 O95342 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL4688734 1.00 MTNR1A (0.51) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL13844425 0.87 MTNR1A (0.51) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL4686316 0.85 MTNR1A (0.49) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL3650518 0.85 MTNR1A (0.49) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL3650515 0.85 MTNR1A (0.49) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL13421104 0.85 MTNR1A (0.48) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL4689236 0.81 MTNR1A (0.58) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL4686374 0.81 MTNR1A (0.58) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL4688552 0.75 MTNR1A (0.67) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL4685778 0.75 MTNR1A (0.67) MTNR1AMTNR1BNQO2ABCB11SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084630-B2 Process for the synthesis of ramelteon and its intermediates TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-12-27 US disclosed
US-8084630-B2 Process for the synthesis of ramelteon and its intermediates TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-12-27 US disclosed
US-20100152468-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. 2010-06-17 US disclosed
US-20100152468-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. 2010-06-17 US disclosed
US-20090281176-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-11-12 US disclosed
US-20090281176-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-11-12 US disclosed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 US disclosed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 US disclosed
CN-100443480-C Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-12-17 CN disclosed
CN-100441574-C Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-12-10 CN disclosed
CN-1900067-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2007-01-24 CN disclosed
CN-1727339-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-01 CN 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
CN-1212691-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-03-31 CN 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-20090281176-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 MTNR1A 2639/4885MTNR1B 2677/4885NQO2 152/4885
US-20100152468-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 MTNR1A 1689/4885MTNR1B 1969/4885NQO2 114/4885
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 MTNR1A 1689/4885MTNR1B 1969/4885NQO2 114/4885

“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.