SCHEMBL3994101

SCHEMBL3994101

Cc1nccn1CC1CCc2[nH]c3ccccc3c2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.62
KCNH2 Q12809 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
HTR3E A5X5Y0 1/20 0.62
SLC22A2 O15244 1/20 0.62
SLC22A1 O15245 1/20 0.62
SLC22A3 O75751 1/20 0.62
HTR3B O95264 1/20 0.62
CHRNB2 P17787 1/20 0.62
CHRNB4 P30926 1/20 0.62
CHRNA3 P32297 1/20 0.62
HTR2B P41595 1/20 0.62
CHRNA4 P43681 1/20 0.62
HTR3A P46098 1/20 0.62
HTR3D Q70Z44 1/20 0.62
SLC47A2 Q86VL8 1/20 0.62
HTR3C Q8WXA8 1/20 0.62
SLC47A1 Q96FL8 1/20 0.62
HDAC1 Q13547 2/20 0.42

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
SCHEMBL9671121 0.88 CYP3A4 (0.52) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL9675763 0.86 CYP3A4 (0.51) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Hydrochloric Acid SCHEMBL7411277 0.85 CYP3A4 (0.48) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL10663966 0.84 CYP3A4 (0.49) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Bromide SCHEMBL10663174 0.84 CYP3A4 (0.49) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL19118074 0.83 CYP3A4 (0.42) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL10663181 0.83 CYP3A4 (0.48) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Oxalic Acid SCHEMBL10659402 0.83 CYP3A4 (0.48) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL10659409 0.82 CYP3A4 (0.47) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Maleic Acid SCHEMBL10664048 0.81 CYP3A4 (0.47) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2013106460-A2 COMPOSITIONS AND METHODS FOR TREATING MALIGNANT ASTROCYTOMAS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-07-18 WO 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-7521565-B2 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazole-1-yl)methyl]-4H-carbazol-4-one or its salt YUHAN CORPORATION (KR) 2009-04-21 US disclosed
US-7521565-B2 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazole-1-yl)methyl]-4H-carbazol-4-one or its salt YUHAN CORPORATION (KR) 2009-04-21 US disclosed
EP-1828141-A4 A 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 LAB LTD (IN) 2009-04-01 EP disclosed
EP-1499623-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) 2005-01-26 EP 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-0210840-B1 SUBSTITUTED IMIDAZOLYLMETHYLTETRAHYDRO-CARBAZOLONES GLAXO GROUP LIMITED (GB) 1992-03-11 EP disclosed
EP-0191562-B1 TETRAHYDROCARBAZOLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-07-10 EP disclosed
US-4957609-A CYCLIZATION GLAXO GROUP LIMITED (GB) 1990-09-18 US disclosed
US-4749718-A NEUROLEPTIC AND GASTROINTESTINAL AGENTS GLAXO GROUP LIMITED (GB) 1988-06-07 US 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
EP-0221629-A1 Process for the preparation of 3-imidazolylmethyltetrahydrocarbazolones GLAXO GROUP LIMITED (GB) 1987-05-13 EP disclosed
EP-0210840-A2 Substituted imidazolylmethyltetrahydro-carbazolones GLAXO GROUP LIMITED (GB) 1987-02-04 EP disclosed
EP-0191562-A2 Tetrahydrocarbazolone derivatives GLAXO GROUP LIMITED (GB) 1986-08-20 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-20170197942-A1 SELECTIVE METHODS FOR THE SEPARATION OF ONDANSETRON AND RELATED IMPURITIES HTR2C, HTR4, HTR2B CYP3A4 23/4885KCNH2 478/4885CYP1A2 143/4885
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.