SCHEMBL3397751

SCHEMBL3397751

COc1cccc(N(C)CCCNC(C)=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 20/20 1.00
MTNR1A P48039 19/20 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
SCHEMBL3399168 0.92 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL3399533 0.82 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL13415823 0.80 MTNR1A (0.66) MTNR1BMTNR1A
SCHEMBL16486511 0.80 MTNR1A (0.66) MTNR1BMTNR1A
SCHEMBL3394369 0.79 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL3398990 0.79 MTNR1A (0.88) MTNR1BMTNR1A
SCHEMBL16487349 0.78 MTNR1A (0.64) MTNR1BMTNR1A
SCHEMBL4516201 0.78 MTNR1B (0.63) MTNR1BMTNR1A
SCHEMBL3396891 0.78 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL20390462 0.77 MTNR1A (0.63) MTNR1BMTNR1A

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 13 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-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-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
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
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-2154140-A1 Metallocenyl phthalocyanine compounds and use thereof in optical recording media Orgchem Technologies, Inc. (TW) 2010-02-17 EP 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-20160221932-A1 Methods and Uses of Melatonin Ligands MTNR1A, MTNR1B, MC3R MTNR1B 2/4885MTNR1A 1/4885
US-20100267836-A1 NOVEL MELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES HCRTR1, HCRTR2, MTNR1A MTNR1B 5/4885MTNR1A 3/4885
US-20150045442-A1 NOVEL MELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES HCRTR1, HCRTR2, MTNR1A MTNR1B 5/4885MTNR1A 3/4885

“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.