Oxitriptan

Oxitriptan

SCHEMBL4063333

NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.88
BLM P54132 3/20 0.88
KDM4E B2RXH2 3/20 0.88
MAPT P10636 3/20 0.88
LMNA P02545 3/20 0.88
TSHR P16473 3/20 0.88
PMP22 Q01453 3/20 0.88
NFKB1 P19838 3/20 0.88
NPSR1 Q6W5P4 3/20 0.88
HTR1A P08908 2/20 0.88
HTR2A P28223 2/20 0.88
HTR2C P28335 2/20 0.88
HTR2B P41595 2/20 0.88
ALDH1A1 P00352 2/20 0.88
CYP3A4 P08684 1/20 0.88
ADORA3 P0DMS8 1/20 0.88
ALOX15 P16050 1/20 0.88
SLC6A4 P31645 1/20 0.88
HTR7 P34969 1/20 0.88
MTOR P42345 1/20 0.88

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 SCHEMBL7721883 1.00 KMT2A (0.88) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL2721519 1.00 KMT2A (0.88) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL5921917 1.00 KMT2A (0.88) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL30209795 1.00 KMT2A (0.88) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL43242 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL1421238 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL21114382 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL21114383 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL3033706 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL19871232 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149410-A1 TREATMENT OF CONDITIONS ASSOCIATED WITH THYROID HORMONE SCOTT III LINZY O (US) 2023-05-18 US disclosed
CN-115916177-A Treatment of thyroid hormone-related disorders 林茨·O·斯科特三世 2023-04-04 CN disclosed
EP-4138809-A1 TREATMENT OF CONDITIONS ASSOCIATED WITH THYROID HORMONE Scott III, Linzy O. (US) 2023-03-01 EP disclosed
WO-2021216896-A1 TREATMENT OF CONDITIONS ASSOCIATED WITH THYROID HORMONE SCOTT LINZY O (US) 2021-10-28 WO disclosed
US-20180318258-A1 Molecules in the Tryptophan-5-Hydroxytryptophan-Serotonin-NAS-Melatonin/6-Hydroxymelatonin Sulfate-Melatonin Receptor 1A pathway in Neurological Diseases THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2018-11-08 US disclosed
US-20180136233-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS NESTEC S.A. (CH) 2018-05-17 US disclosed
US-9891235-B2 Pathway specific assays for predicting irritable bowel syndrome diagnosis NESTEC S.A. (CH) 2018-02-13 US disclosed
CN-107257805-A Antibody of antiserotonin, tryptophan and kynurenine metabolites and application thereof 雀巢产品技术援助有限公司 2017-10-17 CN disclosed
EP-3221353-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF Nestec S.A. (CH) 2017-09-27 EP disclosed
WO-2016079708-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2016-05-26 WO disclosed
US-20160130279-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS NESTEC S.A. (CH) 2016-05-12 US disclosed
EP-3004068-A2 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS Nestec S.A. (CH) 2016-04-13 EP disclosed
EP-2028935-A2 ADMINISTRATION OF DOPA PRECURSORS WITH SOURCES OF DOPA TO EFFECTUATE OPTIMAL CATECHOLAMINE NEUROTRANSMITTER OUTCOMES Neuroresearch, Inc. (US) 2009-03-04 EP disclosed
WO-2007146174-A2 ADMINISTRATION OF DOPA PRECURSORS WITH SOURCES OF DOPA TO EFFECTUATE OPTIMAL CATECHOLAMINE NEUROTRANSMITTER OUTCOMES NEURORESEARCH, INC. (US) 2007-12-21 WO disclosed
US-5110797-A Neurotropic agents NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 US disclosed
EP-0074909-A1 Compositions on the basis of 5-hydroxy-tryptophane, manufacturing process and medicaments containing them S.A. PANMEDICA Société dite: (FR) 1983-03-23 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-20180318258-A1 Molecules in the Tryptophan-5-Hydroxytryptophan-Serotonin-NAS-Melatonin/6-Hydroxymelatonin Sulfate-Melatonin Receptor 1A pathway in Neurological Diseases HTR1A, HTR6, HTR5A KMT2A 2184/4885BLM 4376/4885KDM4E 4328/4885
US-20180136233-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS FABP2, TPH2, TPH1 KMT2A 3586/4885BLM 3119/4885KDM4E 4546/4885
US-20160130279-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS FABP2, TPH2, TPH1 KMT2A 3586/4885BLM 3119/4885KDM4E 4546/4885

“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.