Itasetron

Itasetron

SCHEMBL1821834

CN1C2CCC1CC(NC(=O)n1c(=O)[nH]c3ccccc31)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.70
HTR4 Q13639 2/20 0.70
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53

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
Itasetron SCHEMBL62123 1.00 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL18311459 1.00 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL62124 1.00 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL31406725 1.00 HTR3A (0.70) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL7342367 0.99 HTR3A (0.69) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL4828092 0.99 HTR3A (0.69) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL4828089 0.99 HTR3A (0.69) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL8720455 0.98 HTR3A (0.67) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL1651310 0.98 HTR3A (0.67) HTR3AHTR4TMEM97SIGMAR1HTR3E
Itasetron SCHEMBL7107757 0.97 HTR3A (0.66) HTR3AHTR4TMEM97SIGMAR1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1239882-B1 FORMULATIONS OF ADENOSINE A1 AGONISTS AND 5HT3 AGONISTS GLAXO GROUP LTD (GB) 2004-09-29 EP claimed
US-20040029972-A1 Combination treatment for depression HOWARD HARRY R (US) 2004-02-12 US claimed
US-20030018008-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-23 US claimed
EP-1230921-A1 Combination treatment for depression Pfizer Products Inc. (US) 2002-08-14 EP claimed
EP-0567767-B1 Crystalline forms of endo-2,3-dihydro-N-(8-methyl-8-azabicyclo (3.2.1)oct-3-yl)-2-oxo-1H-benzimidazole-1-carboxamide hydrochloride monohydrate and of endo-3-ethyl-2,3-dihydro-N-(8-methyl-8-azabicyclo (3.2.1) oct-3-yl)-2-oxo-1H-benzimidazole-1-carboxamide hydrochloride monohydrate as 5-HT antagonists BOEHRINGER INGELHEIM ITALIA (IT) 1998-07-29 EP claimed
US-5552408-A Benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-03 US claimed
EP-0523013-B1 Use of benzimidazoline-2-oxo-1-carboxylic acid derivatives in the treatment of organic mental diseases BOEHRINGER INGELHEIM ITALIA (IT) 1994-12-21 EP claimed
US-5358954-A Antiserotonine agent, antiemetic, gastrointestinal disorders BOEHRINGER INGELHEIM ITALIA (IT) 1994-10-25 US claimed
WO-1994013284-A1 NEW USE OF 5-HT3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1994-06-23 WO claimed
EP-0309423-B1 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA (IT) 1994-06-15 EP claimed
EP-0567767-A1 Crystalline forms of endo-2,3-dihydro-N-(8-methyl-8-azabicyclo 3.2.1 oct-3-yl)-2-oxo-1H-benzimidazole-1-carboxamide hydrochloride monohydrate and of endo-3-ethyl-2,3-dihydro-N-(8-methyl-8-azabicyclo 3.2.1 oct-3-yl)-2-oxo-1H-benzimidazole-1-carboxamide hydrochloride monohydrate as 5-HT antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1993-11-03 EP claimed
US-5223511-A Benzimidazoline-2-oxo-1-carboxylic acid compounds useful as 5-HT receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1993-06-29 US claimed
EP-0523013-A2 Use of benzimidazoline-2-oxo-1-carboxylic acid derivatives in the treatment of organic mental diseases BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1993-01-13 EP claimed
EP-0309423-A2 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1989-03-29 EP claimed
JP-6073053-A None JP disclosed
JP-6073053-A None JP disclosed
JP-5194216-A None JP disclosed
EP-0523013-A2 Use of benzimidazoline-2-oxo-1-carboxylic acid derivatives in the treatment of organic mental diseases BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1993-01-13 EP disclosed
EP-0450757-A2 Use of 5-hydroxytryptamine-antagonists in the treatment of mental disorders originating in childhood GLAXO GROUP LIMITED (GB) 1991-10-09 EP disclosed
EP-0309423-A2 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1989-03-29 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 (2 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-20030018008-A1 Formulations of adenosine a1 agonists ADORA1, ADORA3, ADORA2A HTR3A 6/4885HTR4 33/4885TMEM97 450/4885
US-20040029972-A1 Combination treatment for depression HTR3A, HTR5A, HTR6 HTR3A 1/4885HTR4 5/4885TMEM97 375/4885

“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.