Sugi Predict

Sugi Predict / Compounds / SCHEMBL961190

SCHEMBL961190

SCHEMBL961190

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](N)C2

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.72
▸ CHRM1 P11229 1/20 0.72
▸ CHRM3 P20309 1/20 0.72
▸ PREP P48147 4/20 0.51
▸ HSD11B1 P28845 1/20 0.44
▸ GPR119 Q8TDV5 3/20 0.40
▸ NR1H2 P55055 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ KAT2B Q92831 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ EPHX1 P07099 1/20 0.36

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
SCHEMBL16192794 1.00 CHRM2 (0.72) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL3460434 1.00 CHRM2 (0.72) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL3460435 1.00 CHRM2 (0.72) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL1034394 1.00 CHRM2 (0.72) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL8011988 1.00 CHRM2 (0.72) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL25247226 1.00 CHRM2 (0.72) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL961189 1.00 CHRM2 (0.72) CHRM2CHRM1CHRM3PREPHSD11B1
Acetic Acid SCHEMBL30147258 0.95 CHRM2 (0.66) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL8185274 0.93 CHRM2 (0.63) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL17593204 0.93 CHRM2 (0.63) CHRM2CHRM1CHRM3PREPHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163920-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2012-04-24 — — US claimed
US-20100311979-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2010-12-09 — — US claimed
US-7674908-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-03-09 — — US claimed
US-20080146807-A1 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-19 — — US claimed
US-20050197335-A1 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder THERAVANCE BIOPHARMA R&D IP, LLC 2005-09-08 — — US claimed
US-20260001887-A1 CYCLIN-DEPENDENT KINASE INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2026-01-01 — — US disclosed
US-20250154169-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. 2025-05-15 — — US disclosed
US-20240368163-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. 2024-11-07 — — US disclosed
EP-3468953-B1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE IP DEV LTD (GB) 2024-05-22 — — EP disclosed
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 — — US disclosed
US-20230365526-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC (US) 2023-11-16 — — US disclosed
US-11795180-B2 Formulation of a pan-JAK inhibitor THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-10-24 — — US disclosed
US-20060135764-A1 Indazole-carboxamide compounds THERAVANCE, INC. 2006-06-22 — — US disclosed
US-20060100236-A1 For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome THERAVANCE, INC. (US) 2006-05-11 — — US disclosed
US-20060100426-A1 Quinolinone-carboxamide compounds THERAVANCE, INC. 2006-05-11 — — US disclosed
EP-0937069-B1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2006-05-03 — — EP disclosed
US-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2005-10-13 — — US disclosed
US-20050197335-A1 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder THERAVANCE BIOPHARMA R&D IP, LLC 2005-09-08 — — US disclosed
US-6051575-A RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 2000-04-18 — — US disclosed
US-5968929-A USEFUL IN THE TREATMENT OF CHRONIC AIRWAY DISEASES SUCH AS ASTHMA SCHERING CORPORATION (US) 1999-10-19 — — 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 (13 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-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A CHRM2 423/4885CHRM1 326/4885CHRM3 179/4885
US-20050197335-A1 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder HTR4, HTR5A, HTR3C CHRM2 289/4885CHRM1 178/4885CHRM3 155/4885
US-20080146807-A1 Indazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR3B CHRM2 393/4885CHRM1 343/4885CHRM3 139/4885
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 CHRM2 2/4885CHRM1 4/4885CHRM3 5/4885
US-20240368163-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING RBM17, SNRPA, SNRPA1 CHRM2 4815/4885CHRM1 4610/4885CHRM3 4393/4885
US-11795180-B2 Formulation of a pan-JAK inhibitor JAK1, JAK3, JAK2 CHRM2 4700/4885CHRM1 4291/4885CHRM3 4138/4885
US-20250154169-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING RBM17, SNRPA, SNRPA1 CHRM2 4815/4885CHRM1 4610/4885CHRM3 4393/4885
US-20230365526-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING SNRPA, RBM17, SNRPB2 CHRM2 4760/4885CHRM1 4390/4885CHRM3 4461/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B CHRM2 456/4885CHRM1 428/4885CHRM3 152/4885
US-20060100236-A1 For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome GIPR, GPR4, GPR119 CHRM2 122/4885CHRM1 146/4885CHRM3 82/4885
US-20260001887-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK4, CCNC, CDK2 CHRM2 4648/4885CHRM1 4366/4885CHRM3 4320/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C CHRM2 419/4885CHRM1 338/4885CHRM3 168/4885
US-20100311979-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A CHRM2 423/4885CHRM1 326/4885CHRM3 179/4885

“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.