Dolasetron

Dolasetron

SCHEMBL5655022

CS(=O)(=O)O.O.O=C(OC1C[C@@H]2CC3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12

nearest known ligand 0.86

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 0.86
KCNH2 Q12809 5/20 0.86
SLC6A4 P31645 2/20 0.86
HTR3E A5X5Y0 7/20 0.64
HTR3B O95264 7/20 0.64
HTR3D Q70Z44 7/20 0.64
HTR3C Q8WXA8 7/20 0.64
HTR1A P08908 2/20 0.64
HTR2B P41595 2/20 0.64
HTR4 Q13639 2/20 0.64
HTR1D P28221 1/20 0.64
HTR1B P28222 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
HTR1E P28566 1/20 0.64
HTR1F P30939 1/20 0.64
HTR7 P34969 1/20 0.64
HTR5A P47898 1/20 0.64
HTR6 P50406 1/20 0.64
CHRNB2 P17787 3/20 0.60

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 SCHEMBL1237591 1.00 HTR3A (0.86) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL5013150 1.00 HTR3A (0.86) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL30167868 1.00 HTR3A (0.86) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL29394982 1.00 HTR3A (0.86) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL5013147 1.00 HTR3A (0.86) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL1237588 1.00 HTR3A (0.86) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL5655025 1.00 HTR3A (0.86) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL678304 0.99 HTR3A (0.88) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL41145 0.99 HTR3A (0.88) HTR3AKCNH2SLC6A4HTR3EHTR3B
Dolasetron SCHEMBL41146 0.99 HTR3A (0.88) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299260-A1 Method for Preparing Hexahydro-8-Hydroxy-2, 6-Methano-2H-Chinolizin-3 (4H) -One Esters CILAG LTD. (CH) 2007-12-27 US disclosed
US-5910501-A Use of certain esters of hexahydro-8-hydroxy-2,6-methano-2H-quinolozin-3(4H)-one and related compounds for treating cognitive disorders MERRELL PHARMACEUTICALS INC. (US) 1999-06-08 US disclosed
EP-0329932-B1 Use of quinolizine and quinolizinone derivatives in the manufacture of medicaments MERRELL DOW PHARMA (US) 1995-10-18 EP disclosed
EP-0494002-A2 Use of certain esters of hexahydro-8-hydroxy-2, 6-methano-2H-quinolizin-3(4H)-one and related compounds for the preparation of medicaments for treating cognitive disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-08 EP disclosed
EP-0492020-A1 Use of certain esters of hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one and related compounds for treating cognitive disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-01 EP disclosed
US-5011846-A Medicament compositions derived from quinolizine and quinolizinone and methods of use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-30 US disclosed
US-4906755-A Esters of hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3-(4H)-one and related compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-06 US disclosed
EP-0339669-A1 Process for preparing indole-3-carboxylic acid esters of trans-hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one MERRELL DOW PHARMACEUTICALS INC. (US) 1989-11-02 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 (1 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-20070299260-A1 Method for Preparing Hexahydro-8-Hydroxy-2, 6-Methano-2H-Chinolizin-3 (4H) -One Esters CYP4Z1, HDHD5, HCAR2 HTR3A 93/4885KCNH2 1003/4885SLC6A4 875/4885

“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.