SCHEMBL4759323

SCHEMBL4759323

COc1ccc2[nH]cc(CCNC(=O)C3CC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 1.00
MTNR1B P49286 7/20 1.00
ALDH1A1 P00352 2/20 1.00
BCHE P06276 2/20 0.74
ACHE P22303 2/20 0.74
KDM4E B2RXH2 3/20 0.73
KMT2A Q03164 2/20 0.73
MEN1 O00255 1/20 0.73
CYP1A1 P04798 1/20 0.73
MPO P05164 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
HTR1A P08908 1/20 0.73
CYP2D6 P10635 1/20 0.73
HPGD P15428 1/20 0.73
NQO2 P16083 1/20 0.73
HTR2B P41595 1/20 0.73
RAB9A P51151 1/20 0.73
BLM P54132 1/20 0.73
PMP22 Q01453 1/20 0.73

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
SCHEMBL9192809 0.96 MTNR1A (0.92) MTNR1AMTNR1BALDH1A1BCHEACHE
SCHEMBL12720722 0.88 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1BCHEACHE
SCHEMBL10114281 0.86 MTNR1A (0.75) MTNR1AMTNR1BALDH1A1BCHEACHE
SCHEMBL5612765 0.85 MTNR1A (0.80) MTNR1AMTNR1BALDH1A1KDM4EKMT2A
SCHEMBL23644935 0.84 MTNR1A (0.83) MTNR1AMTNR1BALDH1A1KDM4EKMT2A
Melatonin SCHEMBL29349848 0.84 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4EKMT2A
SCHEMBL28872503 0.84 MTNR1A (0.83) MTNR1AMTNR1BALDH1A1KDM4EKMT2A
Melatonin SCHEMBL19018 0.84 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4EKMT2A
Melatonin SCHEMBL4686085 0.84 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4EKMT2A
Melatonin SCHEMBL8060688 0.84 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527687-B1 Novel arylethylamin derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-11-22 EP claimed
US-5276051-A Treatment of melatoninergic system, antiischemic agents and skin disorders using aminoalkylindole compounds ADIR ET COMPAGNIE (FR) 1994-01-04 US claimed
EP-0527687-A2 Novel arylethylamin derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-02-17 EP claimed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-7858560-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2010-12-28 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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-5552428-A ANTIARRHYTHMIA AGENTS FOR CARDIOVASCULAR DISORDERS USING MELATONIN DERIVATIVES INSTITUTO FARMACOLOGICO LOMBARDO-IFLO, S.A.S. (IT) 1996-09-03 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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS MTNR1A 4577/4885MTNR1B 4336/4885ALDH1A1 4360/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS MTNR1A 4532/4885MTNR1B 4178/4885ALDH1A1 4064/4885
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.