Dolasetron

Dolasetron

SCHEMBL14014817

O=C(OC1CC2CC3CC(C1)N2CC3=O)c1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR3A

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A known ✓ P46098 8/20 1.00
KCNH2 Q12809 5/20 1.00
SLC6A4 P31645 2/20 1.00
HTR3E A5X5Y0 7/20 0.72
HTR3B O95264 7/20 0.72
HTR3D Q70Z44 7/20 0.72
HTR3C Q8WXA8 7/20 0.72
HTR1A P08908 2/20 0.72
HTR2B P41595 2/20 0.72
HTR4 Q13639 2/20 0.72
HTR1D P28221 1/20 0.72
HTR1B P28222 1/20 0.72
HTR2A P28223 1/20 0.72
HTR2C P28335 1/20 0.72
HTR1E P28566 1/20 0.72
HTR1F P30939 1/20 0.72
HTR7 P34969 1/20 0.72
HTR5A P47898 1/20 0.72
HTR6 P50406 1/20 0.72
CHRNB2 P17787 3/20 0.65

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
Dolasetron SCHEMBL29356821 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL29390207 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL13575734 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL1819898 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL42064 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL24914047 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL1819896 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL14014809 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL20769824 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL4450258 1.00 HTR3A (1.00) HTR3AKCNH2SLC6A4HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518034-B2 Synthesis of chiral enaminones, their derivatives, and bioactivity studies thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-12-13 US disclosed
US-9518034-B2 Synthesis of chiral enaminones, their derivatives, and bioactivity studies thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-12-13 US disclosed
US-20150105552-A1 SYNTHESIS OF CHIRAL ENAMINONES, THEIR DERIVATIVES, AND BIOACTIVITY STUDIES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY 2015-04-16 US disclosed
US-20150105552-A1 SYNTHESIS OF CHIRAL ENAMINONES, THEIR DERIVATIVES, AND BIOACTIVITY STUDIES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY 2015-04-16 US disclosed
EP-2060557-B1 Intermediate compounds useful to prepare dolasetron INKE SA (ES) 2012-06-06 EP disclosed
US-7858821-B2 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2010-12-28 US disclosed
US-7858821-B2 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2010-12-28 US disclosed
WO-2010111136-A2 ALISKIREN MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2010-09-30 WO disclosed
US-7745628-B2 Method for obtaining a pharmaceutically active compound, synthesis intermediates thereof and methods for obtaining them INKE, S.A. (ES) 2010-06-29 US disclosed
US-7608714-B2 Production of dolasetron TEVA Gyógyszergyár Zártkörúen Müködö Részvénytársaság (HU) 2009-10-27 US disclosed
US-20070203176-A1 Crystalline forms of dolasetron base and processes for preparation thereof TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2007-08-30 US disclosed
US-20070203176-A1 Crystalline forms of dolasetron base and processes for preparation thereof TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2007-08-30 US disclosed
US-20070203177-A1 Forms of dolasetron mesylate and processes for their preparation TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2007-08-30 US disclosed
US-20070203177-A1 Forms of dolasetron mesylate and processes for their preparation TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2007-08-30 US disclosed
US-20070203219-A1 Production of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
US-20070203219-A1 Production of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
US-20070203175-A1 Productioin of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
WO-2007081907-A2 CRYSTALLINE FORMS OF DOLASETRON BASE AND PROCESSES FOR PREPARATION THEREOF TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2007-07-19 WO disclosed
WO-2007081890-A2 PRODUCTION OF DOLASETRON TEVA GYÓGYSZERGYÁR ZÁRTKÖRÜEN MÜKÖDÖ RÉSZVÉNYTÁRSASÁG (HU) 2007-07-19 WO disclosed
WO-2007003522-A1 METHOD FOR OBTAINING A PHARMACEUTICALLY ACTIVE COMPOUND, SYNTHESIS INTERMEDIATES THEREOF AND METHODS FOR OBTAINING THEM INKE, S.A. (ES) 2007-01-11 WO 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 (5 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-20070203177-A1 Forms of dolasetron mesylate and processes for their preparation DDOST, DAD1, TYMP HTR3A 257/4885KCNH2 1372/4885SLC6A4 307/4885
US-20150105552-A1 SYNTHESIS OF CHIRAL ENAMINONES, THEIR DERIVATIVES, AND BIOACTIVITY STUDIES THEREOF CYP51A1, LSS, PRMT7 HTR3A 3621/4885KCNH2 1489/4885SLC6A4 3539/4885
US-20070203175-A1 Productioin of dolasetron DDOST, ALG8, DUT HTR3A 253/4885KCNH2 1308/4885SLC6A4 2447/4885
US-20070203219-A1 Production of dolasetron DDOST, DAD1, DHPS HTR3A 647/4885KCNH2 1268/4885SLC6A4 512/4885
US-20070203176-A1 Crystalline forms of dolasetron base and processes for preparation thereof DAD1, DDOST, ALG8 HTR3A 871/4885KCNH2 1149/4885SLC6A4 842/4885

“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.