SCHEMBL443444

SCHEMBL443444

C=CCn1c2c(c3ccccc31)C(=O)C(Cn1ccnc1C)CC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.72
KCNH2 Q12809 2/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2D6 P10635 1/20 0.72
HTR3E A5X5Y0 1/20 0.72
SLC22A2 O15244 1/20 0.72
SLC22A1 O15245 1/20 0.72
SLC22A3 O75751 1/20 0.72
HTR3B O95264 1/20 0.72
CHRNB2 P17787 1/20 0.72
CHRNB4 P30926 1/20 0.72
CHRNA3 P32297 1/20 0.72
HTR2B P41595 1/20 0.72
CHRNA4 P43681 1/20 0.72
HTR3A P46098 1/20 0.72
HTR3D Q70Z44 1/20 0.72
SLC47A2 Q86VL8 1/20 0.72
HTR3C Q8WXA8 1/20 0.72
SLC47A1 Q96FL8 1/20 0.72
HDAC1 Q13547 6/20 0.51

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
Fumaric Acid SCHEMBL7404970 0.94 CYP3A4 (0.65) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Maleic Acid SCHEMBL7404967 0.94 CYP3A4 (0.65) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL21974469 0.88 CYP3A4 (0.78) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL9834638 0.87 CYP3A4 (0.76) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Hydrochloric Acid SCHEMBL7407971 0.87 CYP3A4 (0.75) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL9837125 0.86 CYP3A4 (0.74) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL9835755 0.86 CYP3A4 (0.74) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL9837022 0.85 CYP3A4 (0.72) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL7408093 0.85 CYP3A4 (0.72) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Ondansetron SCHEMBL1560211 0.84 CYP3A4 (1.00) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0226266-A2 Use of a tetrahydrocarbazolone derivative for the manufacture of medicaments GLAXO GROUP LIMITED (GB) 1987-06-24 EP claimed
EP-0221629-A1 Process for the preparation of 3-imidazolylmethyltetrahydrocarbazolones GLAXO GROUP LIMITED (GB) 1987-05-13 EP claimed
EP-0219929-A1 Process for the preparation of 3-imidazolylmethyltetrahydrocarbazolones GLAXO GROUP LIMITED (GB) 1987-04-29 EP claimed
US-8580730-B2 Methods of treating lesional vestibular disorders by administering serotonin 5-HT3 receptor antagonists (INSERM) INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2013-11-12 US disclosed
EP-2253316-B1 Serotonin 5-HT3 receptor antagonists for use in the treatment or prevention of an inner ear pathology with vestibular deficits INST NAT SANTE RECH MED (FR) 2013-08-14 EP disclosed
EP-2432467-A1 SEROTONIN 5-HT3 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF LESIONAL VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2012-03-28 EP disclosed
US-20120064094-A1 Serotonin 5-HT3 Receptor Antagonists for Use in the Treatment of Lesional Vestibular Disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2012-03-15 US disclosed
WO-2010133663-A1 SEROTONIN 5-HT3 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF LESIONAL VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-11-25 WO disclosed
EP-2253316-A1 serotonin 5-HT3 receptor antagonists for use in the treatment or prevention of vestibular deficits INSERM (Institut National de la Santé et de la Recherche Medicale) (FR) 2010-11-24 EP disclosed
US-6569883-B1 Such as R-1,2,3,9-tetrahydro-3-((2-methyl-1H-imidazol-1-yl) methyl)-9- methyl-4H-carbazol-4-one hydrochloride dihydrate adapted for rectal administration for relief of nausea and vomiting and/or the promotion of gastric emptying GLAXO GROUP LIMITED (GB) 2003-05-27 US disclosed
US-5922749-A ADMINISTERING TO A HUMAN OR ANIMAL THE DRUG ONDANSETRON (R-1,2,3,9-TETRAHYDRO-9-METHYL-3-((2-METHYL-1H-IMIDAZOL-1-YL)M ETHYL)-4H-CAR BAZOL-4-ONE) OR A PHYSIOLOGICALLY ACCEPTABLE SALT OR SOLVATE GLAXO GROUP LIMITED (GB) 1999-07-13 US disclosed
US-4957609-A CYCLIZATION GLAXO GROUP LIMITED (GB) 1990-09-18 US disclosed
US-4929632-A EMETIC AGENTS, ANTIEMETIC AGENTS, CARBAZOL-4-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-05-29 US disclosed
US-4753789-A Method for treating nausea and vomiting GLAXO GROUP LIMITED (GB) 1988-06-28 US disclosed
US-4739072-A CYCLIZATION OF HYDRAZINE COMPOUND SANOFI (FR) 1988-04-19 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-0226266-A2 Use of a tetrahydrocarbazolone derivative for the manufacture of medicaments GLAXO GROUP LIMITED (GB) 1987-06-24 EP disclosed
EP-0221629-A1 Process for the preparation of 3-imidazolylmethyltetrahydrocarbazolones GLAXO GROUP LIMITED (GB) 1987-05-13 EP disclosed
EP-0219929-A1 Process for the preparation of 3-imidazolylmethyltetrahydrocarbazolones GLAXO GROUP LIMITED (GB) 1987-04-29 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 (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-20120064094-A1 Serotonin 5-HT3 Receptor Antagonists for Use in the Treatment of Lesional Vestibular Disorders HTR3A, HTR3B, HTR3E CYP3A4 4564/4885KCNH2 1651/4885CYP1A2 4342/4885

“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.