SCHEMBL8185656

SCHEMBL8185656

COc1ccc2ncn(CCNC(=O)C3CC3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.73
MTNR1B P49286 16/20 0.73
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL29962224 0.85 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL9190336 0.85 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6075919 0.84 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1
SCHEMBL6075522 0.84 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1
SCHEMBL9195378 0.81 MTNR1A (0.75) MTNR1AMTNR1BALDH1A1
SCHEMBL9192842 0.81 MTNR1A (0.75) MTNR1AMTNR1B
SCHEMBL21315657 0.78 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1
SCHEMBL29961769 0.78 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1
SCHEMBL6076317 0.78 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1
SCHEMBL8757567 0.78 MTNR1A (0.66) MTNR1AMTNR1BALDH1A1

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-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS SUZUKI YASUYUKI (JP) 2012-12-06 US disclosed
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS SUZUKI YASUYUKI (JP) 2012-12-06 US disclosed
EP-1206943-B1 MATRIX ADHERING TO NASAL MUCOSA TAKEDA PHARMACEUTICAL (JP) 2010-04-07 EP disclosed
US-20090264521-A1 Percutaneous absorption preparation SUZUKI YASUYUKI 2009-10-22 US disclosed
US-20090264521-A1 Percutaneous absorption preparation SUZUKI YASUYUKI 2009-10-22 US disclosed
WO-2008083204-A2 MODULATION OF NEUROGENESIS BY MELATONINERGIC LIGANDS BRAINCELLS, INC. (US) 2008-07-10 WO disclosed
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents BRAINCELLS, INC (US) 2008-07-10 US disclosed
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents BRAINCELLS, INC (US) 2008-07-10 US disclosed
EP-0527687-B1 Novel arylethylamin derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-11-22 EP disclosed
US-5380750-A Arylethylamine compounds ADIR ET COMPAGNIE (FR) 1995-01-10 US disclosed
US-5308866-A Treatment of melatonin related disorders, sleep disorders, psychological disorders ADIR ET COMPAGNIE (FR) 1994-05-03 US disclosed
US-5276051-A Treatment of melatoninergic system, antiischemic agents and skin disorders using aminoalkylindole compounds ADIR ET COMPAGNIE (FR) 1994-01-04 US disclosed
EP-0527687-A2 Novel arylethylamin derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-02-17 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-20090264521-A1 Percutaneous absorption preparation MTNR1A, MTNR1B, NPSR1 MTNR1A 1/4885MTNR1B 2/4885ALDH1A1 2230/4885
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS MTNR1A, MTNR1B, MC1R MTNR1A 1/4885MTNR1B 2/4885ALDH1A1 2234/4885
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents MTNR1A, GAP43, DCX MTNR1A 1/4885MTNR1B 4/4885ALDH1A1 1809/4885

“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.