SCHEMBL3036857

SCHEMBL3036857

O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 3/20 0.59
GAA P10253 2/20 0.59
HTT P42858 1/20 0.59
MME P08473 3/20 0.57
ECE1 P42892 3/20 0.57
LMNA P02545 2/20 0.57
PLG P00747 4/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55

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
SCHEMBL7436159 1.00 NMBR (0.62) NMBRKMT2AMEN1MAPTGAA
SCHEMBL10899582 1.00 NMBR (0.62) NMBRKMT2AMEN1MAPTGAA
SCHEMBL3072927 0.96 NMBR (0.63) NMBRKMT2AMEN1MAPTGAA
SCHEMBL27738734 0.96 NMBR (0.63) NMBRKMT2AMEN1MAPTGAA
SCHEMBL10972700 0.94 NMBR (0.61) NMBRKMT2AMEN1MAPTGAA
SCHEMBL10968279 0.93 NMBR (0.68) NMBRMAPTGAAHTTMME
SCHEMBL3065558 0.92 PLG (0.63) NMBRKMT2AMEN1MAPTGAA
SCHEMBL4941526 0.91 NMBR (0.59) NMBRKMT2AMEN1MAPTGAA
SCHEMBL10968949 0.90 NMBR (0.58) NMBRKMT2AMEN1MAPTGAA
SCHEMBL8197468 0.90 TGM2 (0.65) NMBRKMT2AMEN1MAPTGAA

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
EP-1789052-A4 COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL UNIV LAVAL (CA) 2008-05-21 EP claimed
US-20080096847-A1 Composition And Method For Inducing Or Restoring Locomotor Functions In An Animal UNIVERSITE LAVAL 2008-04-24 US claimed
EP-1789052-A1 COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL Université Laval (CA) 2007-05-30 EP claimed
WO-2006026850-A1 COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL UNIVERSITE LAVAL (CA) 2006-03-16 WO claimed
US-20030187055-A1 Synergistic pharmaceutical combinations for treating obesity BANK OF AMERICA, N.A., AS AGENT 2003-10-02 US claimed
US-20030162725-A1 Synergistic pharmaceutical combinations for treating obesity with EGCG BANK OF AMERICA, N.A., AS AGENT 2003-08-28 US claimed
US-6579899-B1 Precursor or prodrug of serotonin, tryptophan or 5-hydroxytryptophan MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-06-17 US claimed
WO-2002038141-A9 COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INST TECHNOLOGY (US) 2003-02-13 WO claimed
US-20020173549-A1 Compositions and methods for treatment of mild cognitive impairment NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-11-21 US claimed
EP-1253915-A1 METHOD FOR TREATING STRESS WITH A PRECURSOR OF SEROTONIN Massachusetts Institute of Technology (US) 2002-11-06 EP claimed
WO-2002038141-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO claimed
WO-2001054681-A2 COMPOSITION FOR TREATMENT OF STRESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-08-02 WO claimed
US-9315483-B2 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP disclosed
US-4518587-A NERVOUS SYSTEM DISORDERS S.A. PANMEDICA (FR) 1985-05-21 US disclosed