SCHEMBL4077482

SCHEMBL4077482

CN(C)CC1CCc2c(c3ccccc3n2C)C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
KCNH2 Q12809 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
HTR3E A5X5Y0 1/20 0.59
SLC22A2 O15244 1/20 0.59
SLC22A1 O15245 1/20 0.59
SLC22A3 O75751 1/20 0.59
HTR3B O95264 1/20 0.59
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
HTR2B P41595 1/20 0.59
CHRNA4 P43681 1/20 0.59
HTR3A P46098 1/20 0.59
HTR3D Q70Z44 1/20 0.59
SLC47A2 Q86VL8 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
SLC47A1 Q96FL8 1/20 0.59
HTR6 P50406 2/20 0.43

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
Hydrochloric Acid SCHEMBL5202651 0.99 CYP3A4 (0.58) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Hydrochloric Acid SCHEMBL7429773 0.91 HTR6 (0.51) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL7432465 0.87 CYP3A4 (0.47) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL19679596 0.85 KCNH2 (0.63) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL3994326 0.84 KCNH2 (0.61) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Hydrochloric Acid SCHEMBL7410840 0.84 CYP3A4 (0.43) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL5234561 0.83 KCNH2 (0.53) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Hydrochloric Acid SCHEMBL10662186 0.83 CYP3A4 (0.43) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL10665376 0.83 CYP3A4 (0.43) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL10663734 0.83 CYP3A4 (0.43) CYP3A4KCNH2CYP1A2CYP2D6HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499623-B1 PROCESS FOR PREPARING 1,2,3,9-TETRAHYDRO-9-METHYL-3-¬(2-METHYL-1H-IMIDAZOL-1-YL)METHYL|-4H-CARBAZOL-4-ONE TEVA GYOGYSZERGYAR ZARTKOERUEE (HU) 2007-06-13 EP claimed
US-7098345-B2 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-YL)methyl]-4H-carbazol-4-one TEVA Gyógyszergyár Zárkörüen Müködö Részvénytársaság (HU) 2006-08-29 US claimed
US-20050020655-A1 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[2-methyl-1H-imidazol-1-YL)methyl]-4H-carbazol-4-one TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2005-01-27 US claimed
US-10239866-B2 Selective methods for the separation of ondansetron and related impurities WATERS TECHNOLOGIES CORPORATION (US) 2019-03-26 US disclosed
US-20170197942-A1 SELECTIVE METHODS FOR THE SEPARATION OF ONDANSETRON AND RELATED IMPURITIES WATERS TECHNOLOGIES CORPORATION 2017-07-13 US disclosed
US-20170197942-A1 SELECTIVE METHODS FOR THE SEPARATION OF ONDANSETRON AND RELATED IMPURITIES WATERS TECHNOLOGIES CORPORATION 2017-07-13 US disclosed
US-7547791-B2 One-pot process for the preparation of antiemetic agent, 1,2,3,9-tetrahydro-9-methyl-3[(2-methyl)-1H-imidazole-1-yl)methyl]-4H-carbazol-4-O IPCA LABORATORIES LTD. (IN) 2009-06-16 US disclosed
US-7547791-B2 One-pot process for the preparation of antiemetic agent, 1,2,3,9-tetrahydro-9-methyl-3[(2-methyl)-1H-imidazole-1-yl)methyl]-4H-carbazol-4-O IPCA LABORATORIES LTD. (IN) 2009-06-16 US disclosed
US-7547791-B2 One-pot process for the preparation of antiemetic agent, 1,2,3,9-tetrahydro-9-methyl-3[(2-methyl)-1H-imidazole-1-yl)methyl]-4H-carbazol-4-O IPCA LABORATORIES LTD. (IN) 2009-06-16 US disclosed
US-20080009635-A1 One-Pot Process for the Preparation of Antiemetic Agent, 1,2,3,9-Tetrahydro-9-Methyl-3[(2-Methyl)-1H-Imidazole-1-Yl)Methyl]-4H-Carbazol-4-O IPCA LABORATORIES LIMITED (IN) 2008-01-10 US disclosed
US-20080009635-A1 One-Pot Process for the Preparation of Antiemetic Agent, 1,2,3,9-Tetrahydro-9-Methyl-3[(2-Methyl)-1H-Imidazole-1-Yl)Methyl]-4H-Carbazol-4-O IPCA LABORATORIES LIMITED (IN) 2008-01-10 US disclosed
WO-2004063189-A1 ONDANSETRON FORMS AND PROCESSES OF MAKING THE SAME SYNTHON B.V. (NL) 2004-07-29 WO disclosed
US-20040019093-A1 Novel crystal forms of ondansetron, processes for their preparation, pharmaceutical compositions containing the novel forms and methods for treating nausea using them TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2004-01-29 US disclosed
WO-2003093281-A1 PROCESS FOR PREPARING 1,2,3,9-TETRAHYDRO-9-METHYL-3-[(2-METHYL-1H-IMIDAZOL-1-YL)METHYL]-4H-CARBAZOL-4-ONE BIOGAL GYOGYSZERGYAR RT. (HU) 2003-11-13 WO disclosed
EP-0595111-B2 Carbazolone derivatives and process for preparing the same RICHTER GEDEON VEGYESZET (HU) 2001-08-16 EP disclosed
EP-0595111-B1 Carbazolone derivatives and process for preparing the same RICHTER GEDEON VEGYESZET (HU) 1997-09-10 EP disclosed
US-5478949-A Reacting the starting carbazolone with dialkyl oxalate, then formaldehyde and 2-methylimidazole RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1995-12-26 US disclosed
US-5416221-A ONDANSETRON INTERMEDIATES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1995-05-16 US disclosed
EP-0595111-A1 Carbazolone derivatives and process for preparing the same RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1994-05-04 EP disclosed
US-4695578-A 1,2,3,9-tetrahydro-3-imidazol-1-ylmethyl-4H-carbazol-4-ones, composition containing them, and method of using them to treat neuronal 5HT function disturbances GLAXO GROUP LIMITED (GB) 1987-09-22 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 (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-20050020655-A1 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[2-methyl-1H-imidazol-1-YL)methyl]-4H-carbazol-4-one CYP3A4, HTR4, TPH1 CYP3A4 1/4885KCNH2 948/4885CYP1A2 54/4885
US-20040019093-A1 Novel crystal forms of ondansetron, processes for their preparation, pharmaceutical compositions containing the novel forms and methods for treating nausea using them CYP3A43, CYP3A4, HTR3A CYP3A4 2/4885KCNH2 563/4885CYP1A2 103/4885
US-20170197942-A1 SELECTIVE METHODS FOR THE SEPARATION OF ONDANSETRON AND RELATED IMPURITIES HTR2C, HTR4, HTR2B CYP3A4 23/4885KCNH2 478/4885CYP1A2 143/4885
US-20080009635-A1 One-Pot Process for the Preparation of Antiemetic Agent, 1,2,3,9-Tetrahydro-9-Methyl-3[(2-Methyl)-1H-Imidazole-1-Yl)Methyl]-4H-Carbazol-4-O CRHR2, HCRTR2, HTR1D CYP3A4 422/4885KCNH2 513/4885CYP1A2 219/4885
US-10239866-B2 Selective methods for the separation of ondansetron and related impurities HTR2C, HTR4, HTR2B CYP3A4 23/4885KCNH2 478/4885CYP1A2 143/4885

“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.