SCHEMBL6669870

SCHEMBL6669870

CCn1c(=O)n(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 1.00
HTR3A P46098 2/20 1.00
TMEM97 Q5BJF2 1/20 1.00
SIGMAR1 Q99720 1/20 1.00
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52

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
SCHEMBL1041383 1.00 HTR4 (1.00) HTR4HTR3ATMEM97SIGMAR1HTR3E
Hydrochloric Acid SCHEMBL8717464 0.99 HTR4 (0.98) HTR4HTR3ATMEM97SIGMAR1HTR3E
Hydrochloric Acid SCHEMBL29386085 0.99 HTR4 (0.98) HTR4HTR3ATMEM97SIGMAR1HTR3E
Hydrochloric Acid SCHEMBL9572388 0.98 HTR4 (0.96) HTR4HTR3ATMEM97SIGMAR1HTR3E
Hydrochloric Acid SCHEMBL678218 0.98 HTR4 (0.96) HTR4HTR3ATMEM97SIGMAR1HTR3E
SCHEMBL7389966 0.95 HTR4 (0.91) HTR4HTR3ATMEM97SIGMAR1HTR3E
SCHEMBL7389967 0.95 HTR4 (0.91) HTR4HTR3ATMEM97SIGMAR1HTR3E
SCHEMBL7343018 0.92 HTR3A (0.85) HTR4HTR3ATMEM97SIGMAR1HTR3E
SCHEMBL9398539 0.92 HTR3A (0.85) HTR4HTR3ATMEM97SIGMAR1HTR3E
SCHEMBL8947409 0.89 HTR4 (0.80) HTR4HTR3ATMEM97SIGMAR1HTR3E

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
EP-1239882-B1 FORMULATIONS OF ADENOSINE A1 AGONISTS AND 5HT3 AGONISTS GLAXO GROUP LTD (GB) 2004-09-29 EP claimed
US-20030018008-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-23 US 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
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
JP-6073053-A None JP disclosed
EP-1239882-B1 FORMULATIONS OF ADENOSINE A1 AGONISTS AND 5HT3 AGONISTS GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
US-20030018008-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-23 US disclosed
EP-0851756-B1 USE OF ONDANSETRON IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TREMOR GLAXO GROUP LTD (GB) 2003-01-15 EP disclosed
US-6506580-B1 Gastrointestinal, nervous system and cardiovascular disorders; Alzheimer*s and Parkinson*s disease; antiarrhythmia agents, cognition activators INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2003-01-14 US disclosed
WO-1994013284-A1 NEW USE OF 5-HT3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1994-06-23 WO disclosed
JP-H0673053-A CRYSTALLINE MONOHYDRATES OF ENDO-2,3-DIHYDRO-N-(8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL)2-OXO-1H-BENZIMIDAZOLE-1-CARBOXAMIDE HYDROCHLORIDE AND ENDO-3-ETHYL-2,3-DIHYDRO-N-(8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL)-2-OXO-1H-BENZIMIDAZOLE-1-CARBOXYAMIDE HYDROCHLORIDE BOEHRINGER INGELHEIM IT SPA 1994-03-15 JP disclosed
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 disclosed
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 disclosed
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 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

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-20030018008-A1 Formulations of adenosine a1 agonists ADORA1, ADORA3, ADORA2A HTR4 33/4885HTR3A 6/4885TMEM97 450/4885

“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.