SCHEMBL962474

SCHEMBL962474

CN1C2CCC1CC(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.54
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CTSK P43235 2/20 0.50
MEN1 O00255 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP2C9 P11712 1/20 0.45
HSD11B1 P28845 1/20 0.45
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
HTR4 Q13639 1/20 0.42
GAA P10253 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
SCHEMBL29676411 1.00 BTK (0.54) BTKKMT2AL3MBTL1CTSKMEN1
SCHEMBL1116704 1.00 BTK (0.54) BTKKMT2AL3MBTL1CTSKMEN1
SCHEMBL4321226 0.93 BTK (0.59) BTKKMT2AL3MBTL1CTSKMEN1
SCHEMBL23475169 0.85 BTK (0.50) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL21739031 0.85 BTK (0.50) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL29676115 0.85 BTK (0.50) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL31327089 0.83 CTSK (0.51) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL21631816 0.83 BTK (0.55) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL747015 0.83 BTK (0.51) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL29498425 0.83 BTK (0.55) BTKKMT2AL3MBTL1CTSKCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133989-A1 SMYD MODULATORS AND USES THEREOF ALT-BIO PTE. LTD. (SG) 2025-06-26 WO disclosed
US-20250019376-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2025-01-16 US disclosed
EP-4433476-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS Merck Sharp & Dohme LLC (US) 2024-09-25 EP disclosed
US-11932637-B2 Chromane amidine monobactam compounds for the treatment of bacterial infections MERCK SHARP & DOHME LLC (US) 2024-03-19 US disclosed
EP-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 EP disclosed
WO-2023091438-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2023-05-25 WO disclosed
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
WO-2020035464-A1 NOVEL SULFONAMIDEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 WO disclosed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 US disclosed
WO-2018152368-A1 PYRROLO [1,2-B] PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2018-08-23 WO disclosed
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2007-05-24 US disclosed
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. 2006-12-07 US disclosed
US-20060229332-A1 crystalline hydrochloride salt of 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[(R)-2-hydroxy-3-(methanesulfonyl-methyl-amino)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide or solvate thereof; treating disease associated with 5-HT4 receptor activity; gastrointestinal tract disorder THERAVANCE, INC. 2006-10-12 US disclosed
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2006-09-07 US disclosed
US-20060183901-A1 Crystalline form of an indazole-carboxamide compound THERAVANCE, INC. 2006-08-17 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 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-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists HTR4, HTR5A, HTR1A BTK 2322/4885KMT2A 2365/4885L3MBTL1 4819/4885
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A BTK 4247/4885KMT2A 2124/4885L3MBTL1 4797/4885
US-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A BTK 3715/4885KMT2A 1511/4885L3MBTL1 4828/4885
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM BTK 88/4885KMT2A 2833/4885L3MBTL1 2865/4885
US-20250019376-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS PAM, ACMSD, MGAM2 BTK 364/4885KMT2A 1492/4885L3MBTL1 3670/4885
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 BTK 4331/4885KMT2A 2249/4885L3MBTL1 4444/4885
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR2B BTK 2110/4885KMT2A 1342/4885L3MBTL1 4469/4885
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 BTK 3493/4885KMT2A 3113/4885L3MBTL1 4667/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B BTK 3078/4885KMT2A 2426/4885L3MBTL1 4823/4885
US-20060229332-A1 crystalline hydrochloride salt of 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[(R)-2-hydroxy-3-(methanesulfonyl-methyl-amino)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide or solvate thereof; treating disease associated with 5-HT4 receptor activity; gastrointestinal tract disorder HTR4, HTR5A, HTR2C BTK 4537/4885KMT2A 1538/4885L3MBTL1 3943/4885
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 BTK 4528/4885KMT2A 4259/4885L3MBTL1 4132/4885
US-11932637-B2 Chromane amidine monobactam compounds for the treatment of bacterial infections MGAM, MGAM2, ELANE BTK 39/4885KMT2A 2333/4885L3MBTL1 2697/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C BTK 3370/4885KMT2A 1724/4885L3MBTL1 4844/4885
US-20060183901-A1 Crystalline form of an indazole-carboxamide compound HTR4, HTR3C, HTR5A BTK 4093/4885KMT2A 2594/4885L3MBTL1 4602/4885

“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.