Oxitriptan

Oxitriptan

SCHEMBL3033706

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 1.00
HTR2C P28335 5/20 1.00
TSHR P16473 4/20 1.00
BLM P54132 4/20 1.00
LMNA P02545 4/20 1.00
HTR1A P08908 4/20 1.00
HTR2A P28223 4/20 1.00
HTR2B P41595 4/20 1.00
MAPT P10636 4/20 1.00
KDM4E B2RXH2 4/20 1.00
ALDH1A1 P00352 4/20 1.00
KMT2A Q03164 3/20 1.00
NFKB1 P19838 3/20 1.00
PMP22 Q01453 3/20 1.00
CYP3A4 P08684 3/20 1.00
HTR7 P34969 2/20 1.00
ADORA3 P0DMS8 1/20 1.00
ALOX15 P16050 1/20 1.00
SLC6A4 P31645 1/20 1.00
MTOR P42345 1/20 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
Oxitriptan SCHEMBL21114383 1.00 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL29498813 1.00 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL43243 1.00 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL1421238 1.00 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL43242 1.00 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL21114382 1.00 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL29366470 1.00 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL19871232 1.00 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL10448511 0.99 NPSR1 (0.97) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL990122 0.99 NPSR1 (0.97) NPSR1HTR2CTSHRBLMLMNA

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 49 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-4310535-A PHENTOLAMINE, HALOPERIDOL AND L-5-HYPROXYTRYPTOPHAN PIERPAOLI WALTER 1982-01-12 US claimed
US-20190214145-A1 Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen KUREK ITZHAK (US) 2019-07-11 US disclosed
WO-2001054681-A2 COMPOSITION FOR TREATMENT OF STRESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-08-02 WO disclosed
US-4518587-A NERVOUS SYSTEM DISORDERS S.A. PANMEDICA (FR) 1985-05-21 US disclosed