Repinotan

Repinotan

SCHEMBL1822211

O=C1c2ccccc2S(=O)(=O)N1CCCCNCC1CCc2ccccc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR1A

The experimentally established mechanism targets of Repinotan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 12/20 1.00
ACHE P22303 1/20 0.53
HTR1D P28221 8/20 0.49
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
Repinotan SCHEMBL29376954 1.00 HTR1A (1.00) HTR1AACHEHTR1DCA12CA9
Repinotan SCHEMBL678644 1.00 HTR1A (1.00) HTR1AACHEHTR1DCA12CA9
Repinotan SCHEMBL29711567 0.99 HTR1A (0.98) HTR1AACHEHTR1DCA12CA9
Repinotan SCHEMBL6325494 0.99 HTR1A (0.98) HTR1AACHEHTR1DCA12CA9
Repinotan SCHEMBL6333948 0.99 HTR1A (0.98) HTR1AACHEHTR1DCA12CA9
Repinotan SCHEMBL1649375 0.98 HTR1A (0.96) HTR1AACHEHTR1DCA12CA9
SCHEMBL7837327 0.90 HTR1A (0.81) HTR1AHTR1D
Hydrochloric Acid SCHEMBL7841791 0.89 HTR1A (0.80) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6326346 0.89 HTR1A (0.79) HTR1AACHE
SCHEMBL8971004 0.86 HTR1A (0.75) HTR1AACHECA12CA9ADRA1D

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-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US claimed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US claimed
US-5364857-A Combination having a neuroprotective effect TROPONWERKE GMBH & CO KG (DE) 1994-11-15 US claimed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP claimed
EP-0545120-A2 Combination of 5-HT2-receptor antagonists and 5-HT1A-receptor agonists with neuroprotective effect Troponwerke GmbH & Co. KG (DE) 1993-06-09 EP claimed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US claimed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP claimed
US-8394813-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2013-03-12 US disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 US disclosed
EP-2316469-A1 Delivery system and methods for protecting and administering dextroamphetamine Shire LLC (US) 2011-05-04 EP disclosed
EP-2316468-A1 Delivery system and methods for protecting and administering dextroamphetamine Shire LLC (US) 2011-05-04 EP disclosed
EP-2266590-A2 Active agent delivery sytems and methods for protecting and administering active agents Shire LLC (US) 2010-12-29 EP disclosed
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-12-10 US disclosed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
US-5364857-A Combination having a neuroprotective effect TROPONWERKE GMBH & CO KG (DE) 1994-11-15 US disclosed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0545120-A2 Combination of 5-HT2-receptor antagonists and 5-HT1A-receptor agonists with neuroprotective effect Troponwerke GmbH & Co. KG (DE) 1993-06-09 EP disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK HTR1A 2543/4885ACHE 2215/4885HTR1D 3466/4885
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP HTR1A 4290/4885ACHE 2453/4885HTR1D 4748/4885

“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.