Eletriptan

Eletriptan

SCHEMBL4233264

Br.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR1BHTR1DHTR1F

The experimentally established mechanism targets of Eletriptan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B known ✓ P28222 7/20 0.98
HTR1D known ✓ P28221 6/20 0.65
HTR1F known ✓ P30939 2/20 0.56
HTR1A P08908 3/20 0.98
CHRM2 P08172 1/20 0.98
ADRA2A P08913 1/20 0.98
CHRM1 P11229 1/20 0.98
DRD1 P21728 1/20 0.98
SLC6A2 P23975 1/20 0.98
OPRM1 P35372 1/20 0.98
SLC6A3 Q01959 1/20 0.98
HRH3 Q9Y5N1 1/20 0.98
HTR6 P50406 15/20 0.66
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR7 P34969 2/20 0.56
DRD3 P35462 1/20 0.56

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
Eletriptan SCHEMBL4431798 1.00 HTR1B (0.98) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL317370 1.00 HTR1B (0.98) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL29984875 1.00 HTR1B (0.98) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL3713443 1.00 HTR1B (0.98) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL2146547 0.99 HTR1B (0.96) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL798473 0.99 HTR1B (1.00) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL29414096 0.99 HTR1B (1.00) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL26719 0.99 HTR1B (1.00) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL1556539 0.99 HTR1B (1.00) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL10083479 0.99 HTR1B (1.00) HTR1BHTR1ACHRM2ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105175397-B A kind of hydrobromic acid eletriptan synthetic method 上海现代哈森(商丘)药业有限公司 2017-10-10 CN disclosed
CN-104230895-B Preparation method for eletriptan intermediate 上海医药工业研究院 2017-02-08 CN disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
EP-2093224-A1 Process for preparing eletriptan hydrobromide form beta Plus Chemicals B.V. (NL) 2009-08-26 EP disclosed
EP-2093225-A1 Process for preparing crystalline eletriptan hydrobromide form ß Plus Chemicals B.V. (NL) 2009-08-26 EP disclosed
US-20080287519-A1 Amorphous eletriptan hydrobromide and process for preparing it and other forms of eletriptan hydrobromide PLUS CHEMICALS, B.V. (NL) 2008-11-20 US disclosed
US-5607951-A SEROTONIN AGONIST FOR NERVOUS SYSTEM DISORDERS, ANALGESICS AND PSYCHOTHERAPEUTICS PFIZER INC (US) 1997-03-04 US disclosed
US-5578612-A Indole derivatives PFIZER INC. (US) 1996-11-26 US disclosed
US-5559246-A PROCESS OF DEHYDROHALOGENATION FOR CYCLIZATION TO PRODUCE PSYCHOTHERAPEUTIC AGENTS AND ANTISEROTONIN ANTAGONIST PFIZER INC. (US) 1996-09-24 US disclosed
US-5559129-A SEROTONIN (5HT1) ANTAGONIST FOR TREATMENT OF DEPRESSION, ANXIETY, EATING DISORDERS, OBESITY, DRUG ABUSE, HEADACHES, AND PAIN PFIZER INC (US) 1996-09-24 US disclosed
US-5545644-A SEROTONIN AGONISTS; HYPOTENSIVE AND ANXIOLYTIC AGENTS; ANALGESICS; ANTIDEPRESSANTS; EATING DISORDERS; DRUG ABUSE; HEADACHES; VASCULAR DISORDERS PFIZER INC. (US) 1996-08-13 US 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 HTR1B 260/4885HTR1D 944/4885HTR1F 1354/4885
US-20080287519-A1 Amorphous eletriptan hydrobromide and process for preparing it and other forms of eletriptan hydrobromide TPSAB1, TPSD1, TPSB2 HTR1B 604/4885HTR1D 669/4885HTR1F 1106/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 HTR1B 260/4885HTR1D 944/4885HTR1F 1354/4885

“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.