SCHEMBL3396218

SCHEMBL3396218

COc1cccc(NCCNC(C)=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 1.00
MTNR1B P49286 16/20 1.00

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
SCHEMBL30080294 1.00 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL10154474 0.88 MTNR1A (0.78) MTNR1AMTNR1B
SCHEMBL358772 0.85 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL28325190 0.83 MTNR1B (0.71) MTNR1AMTNR1B
SCHEMBL30728502 0.83 MTNR1B (0.71) MTNR1AMTNR1B
SCHEMBL28805992 0.83 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL10126895 0.82 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL28228428 0.81 MTNR1B (0.68) MTNR1AMTNR1B
SCHEMBL11114174 0.80 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL10126717 0.80 MTNR1B (0.67) MTNR1AMTNR1B

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221932-A1 Methods and Uses of Melatonin Ligands DOMINGUEZ LOPEZ SERGIO (US) 2016-08-04 US claimed
EP-1973868-B1 Novel elatonin ligands having antidepressant activity as well as sleep inducing properties UNIV MCGILL (CA) 2015-09-09 EP claimed
WO-2015021535-A1 METHODS AND USES OF MELATONIN LIGANDS GOBBI GABRIELLA (CA) 2015-02-19 WO claimed
US-20150045442-A1 NOVEL MELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES GOBBI GABRIELLA (CA) 2015-02-12 US claimed
US-8791163-B2 Melatonin ligands having antidepressant activity as well as sleep inducing properties MCGILL UNIVERSITY (CA) 2014-07-29 US claimed
US-20100267836-A1 NOVEL MELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES UNIVERSITA DEGLI STUDI DI MILANO (IT) 2010-10-21 US claimed
US-20230052740-A1 MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-02-16 US disclosed
WO-2022259219-A1 NOVEL MELATONERGIC LIGANDS AND USES THEREOF GOBBI GABRIELLA (CA) 2022-12-15 WO disclosed
WO-2021041702-A1 MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-04 WO disclosed
US-20160221932-A1 Methods and Uses of Melatonin Ligands DOMINGUEZ LOPEZ SERGIO (US) 2016-08-04 US disclosed
EP-1973868-B1 Novel elatonin ligands having antidepressant activity as well as sleep inducing properties UNIV MCGILL (CA) 2015-09-09 EP disclosed
WO-2015021535-A1 METHODS AND USES OF MELATONIN LIGANDS GOBBI GABRIELLA (CA) 2015-02-19 WO disclosed
US-20150045442-A1 NOVEL MELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES GOBBI GABRIELLA (CA) 2015-02-12 US disclosed
US-8791163-B2 Melatonin ligands having antidepressant activity as well as sleep inducing properties MCGILL UNIVERSITY (CA) 2014-07-29 US disclosed
EP-2412711-A1 INDAZOLEPROPIONIC ACID AMIDE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-01 EP disclosed
US-20100267836-A1 NOVEL MELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES UNIVERSITA DEGLI STUDI DI MILANO (IT) 2010-10-21 US disclosed
EP-1973868-A1 NOVEL ELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES McGILL UNIVERSITY (CA) 2008-10-01 EP disclosed
WO-2007079593-A1 NOVEL MELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES MCGILL UNIVERSITY (CA) 2007-07-19 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 (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-20230052740-A1 MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF MTNR1A, PER2, MTNR1B MTNR1A 1/4885MTNR1B 3/4885
US-20160221932-A1 Methods and Uses of Melatonin Ligands MTNR1A, MTNR1B, MC3R MTNR1A 1/4885MTNR1B 2/4885
US-20100267836-A1 NOVEL MELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES HCRTR1, HCRTR2, MTNR1A MTNR1A 3/4885MTNR1B 5/4885
US-20150045442-A1 NOVEL MELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES HCRTR1, HCRTR2, MTNR1A MTNR1A 3/4885MTNR1B 5/4885

“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.