SCHEMBL4688567

SCHEMBL4688567

COc1ccc2c(c1)/C(=C/C#N)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.56
CYP11B2 P19099 4/20 0.56
MAOB P27338 2/20 0.50
NQO2 P16083 2/20 0.49
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
ALDH1A1 P00352 3/20 0.46
MAOA P21397 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MPI P34949 1/20 0.42
MIF P14174 1/20 0.42
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL4688774 1.00 CYP19A1 (0.56) CYP19A1CYP11B2MAOBNQO2MTNR1A
SCHEMBL31028072 1.00 CYP19A1 (0.56) CYP19A1CYP11B2MAOBNQO2MTNR1A
SCHEMBL4688568 1.00 CYP19A1 (0.56) CYP19A1CYP11B2MAOBNQO2MTNR1A
SCHEMBL7943767 0.91 CYP19A1 (0.47) CYP19A1CYP11B2MAOBNQO2MTNR1A
SCHEMBL7943769 0.91 CYP19A1 (0.47) CYP19A1CYP11B2MAOBNQO2MTNR1A
SCHEMBL7951337 0.91 CYP19A1 (0.47) CYP19A1CYP11B2MAOBNQO2MTNR1A
SCHEMBL7951341 0.91 CYP19A1 (0.47) CYP19A1CYP11B2MAOBNQO2MTNR1A
SCHEMBL1688133 0.91 CYP19A1 (0.47) CYP19A1CYP11B2MAOBNQO2MTNR1A
SCHEMBL31028058 0.88 CYP19A1 (0.56) CYP19A1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL31028079 0.79 CYP19A1 (0.53) CYP19A1CYP11B2MIF

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 21 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
WO-2010045565-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-04-22 WO 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
WO-2009056993-A2 A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-07 WO 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
US-20080242877-A1 Methoxy-indenyl-propionic ester or amide; to produce (S) N-[2-(1, 6, 7, 8-tetrahydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]propionamide i.e. Ramelteon; insomnia TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-02 US disclosed
US-20080242877-A1 Methoxy-indenyl-propionic ester or amide; to produce (S) N-[2-(1, 6, 7, 8-tetrahydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]propionamide i.e. Ramelteon; insomnia TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-02 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
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
EP-0848699-B1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-24 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
US-5922771-A MELATONIN RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-13 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 (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-20090281176-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 CYP19A1 193/4885CYP11B2 20/4885MAOB 1193/4885
US-20080242877-A1 Methoxy-indenyl-propionic ester or amide; to produce (S) N-[2-(1, 6, 7, 8-tetrahydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]propionamide i.e. Ramelteon; insomnia CNR2, PNMT, GABRP CYP19A1 1100/4885CYP11B2 237/4885MAOB 674/4885
US-20100152468-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 CYP19A1 157/4885CYP11B2 7/4885MAOB 659/4885
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 CYP19A1 157/4885CYP11B2 7/4885MAOB 659/4885

“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.