Ondansetron

Ondansetron

SCHEMBL678607

Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.[Cl-].[H+]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR3A

The experimentally established mechanism targets of Ondansetron. 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 2/20 0.98
CYP3A4 P08684 3/20 0.98
KCNH2 Q12809 3/20 0.98
CYP1A2 P05177 2/20 0.98
HTR2B P41595 2/20 0.98
CYP2D6 P10635 1/20 0.98
HTR3E A5X5Y0 1/20 0.98
SLC22A2 O15244 1/20 0.98
SLC22A1 O15245 1/20 0.98
SLC22A3 O75751 1/20 0.98
HTR3B O95264 1/20 0.98
CHRNB2 P17787 1/20 0.98
CHRNB4 P30926 1/20 0.98
CHRNA3 P32297 1/20 0.98
CHRNA4 P43681 1/20 0.98
HTR3D Q70Z44 1/20 0.98
SLC47A2 Q86VL8 1/20 0.98
HTR3C Q8WXA8 1/20 0.98
SLC47A1 Q96FL8 1/20 0.98
HDAC1 Q13547 2/20 0.49

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
Ondansetron SCHEMBL1172987 0.99 CYP3A4 (0.96) CYP3A4KCNH2CYP1A2HTR2BHTR3A
Ondansetron SCHEMBL6059917 0.99 CYP3A4 (1.00) CYP3A4KCNH2CYP1A2HTR2BHTR3A
Ondansetron SCHEMBL4542 0.99 CYP3A4 (1.00) CYP3A4KCNH2CYP1A2HTR2BHTR3A
Ondansetron SCHEMBL1560211 0.99 CYP3A4 (1.00) CYP3A4KCNH2CYP1A2HTR2BHTR3A
(S)-Ondansetron SCHEMBL4543 0.99 CYP3A4 (1.00) CYP3A4KCNH2CYP1A2HTR2BHTR3A
(R)-Ondansetron SCHEMBL29742665 0.99 CYP3A4 (1.00) CYP3A4KCNH2CYP1A2HTR2BHTR3A
Ondansetron SCHEMBL29358872 0.99 CYP3A4 (1.00) CYP3A4KCNH2CYP1A2HTR2BHTR3A
(R)-Ondansetron SCHEMBL848379 0.99 CYP3A4 (1.00) CYP3A4KCNH2CYP1A2HTR2BHTR3A
(R)-Ondansetron SCHEMBL5123895 0.98 CYP3A4 (0.98) CYP3A4KCNH2CYP1A2HTR2BHTR3A
(R)-Ondansetron SCHEMBL6186951 0.98 CYP3A4 (0.98) CYP3A4KCNH2CYP1A2HTR2BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576778-B1 TRANSGENIC REPORTER SYSTEM THAT REVEALS EXPRESSION PROFILES AND REGULATION MECHANISMS OF ALTERNATIVE SPLICING IN RODENTS UNIV KYOTO (JP) 2017-08-09 EP disclosed
US-9273364-B2 Transgenic reporter system that reveals expression profiles and regulation mechanisms of alternative splicing in mammalian organisms KYOTO UNIVERSITY (JP) 2016-03-01 US disclosed
EP-2288345-B1 PSYCHO-PHARMACEUTICALS UNIV DUBLIN (IE) 2015-06-10 EP disclosed
US-20130137099-A1 TRANSGENIC REPORTER SYSTEM THAT REVEALS EXPRESSION PROFILES AND REGULATION MECHANISMS OF ALTERNATIVE SPLICING IN MAMMALIAN ORGANISMS KYOTO UNIVERSITY (JP) 2013-05-30 US disclosed
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
EP-2382975-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-11-02 EP disclosed
EP-2377530-A2 Modulation of neurogenesis by PDE inhibition Braincells, Inc. (US) 2011-10-19 EP disclosed
EP-2377531-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-10-19 EP disclosed
US-20070244143-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS BRAINCELLS, INC (US) 2007-10-18 US disclosed
WO-2007104035-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS BRAINCELLS, INC. (US) 2007-09-13 WO disclosed
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-09-06 US disclosed
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-17 US disclosed
WO-2007053596-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-10 WO disclosed
WO-2007047978-A2 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-04-26 WO disclosed
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION BRAINCELLS, INC. (US) 2007-04-05 US disclosed
WO-2007030697-A2 MODULATION OF NEUROGENESIS BY HDAC INHIBITION BRAINCELLS, INC. (US) 2007-03-15 WO disclosed
WO-2007025177-A2 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 WO disclosed
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 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 (7 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 HTR3A 353/4885CYP3A4 4765/4885KCNH2 2922/4885
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS GABRB2, GAP43, GABRB1 HTR3A 574/4885CYP3A4 4875/4885KCNH2 3559/4885
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 HTR3A 3141/4885CYP3A4 4872/4885KCNH2 4550/4885
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION PDE2A, PDE4A, DCX HTR3A 1245/4885CYP3A4 4876/4885KCNH2 4100/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF HTR3A 1276/4885CYP3A4 4777/4885KCNH2 2626/4885
US-20070244143-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS GAP43, BDNF, DCX HTR3A 384/4885CYP3A4 4880/4885KCNH2 3478/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 HTR3A 353/4885CYP3A4 4765/4885KCNH2 2922/4885

“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.