SCHEMBL1005036

SCHEMBL1005036

CC(=O)N(C)C1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.42
SLC6A11 P48066 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A4 P31645 10/20 0.39
SLC6A2 P23975 9/20 0.37
KCNH2 Q12809 4/20 0.37
SLC6A3 Q01959 3/20 0.35
GLI1 P08151 1/20 0.34
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PAK4 O96013 1/20 0.34

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
SCHEMBL7665473 1.00 SLC6A1 (0.42) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL583936 0.88 SLC6A4 (0.48) CYP2D6SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL1972543 0.88 SLC6A4 (0.48) CYP2D6SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL12141387 0.88 SLC6A4 (0.48) CYP2D6SLC6A4SLC6A2KCNH2SLC6A3
Hydrochloric Acid SCHEMBL21772806 0.86 SLC6A4 (0.47) CYP2D6SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL21590701 0.86 SLC6A4 (0.47) CYP2D6SLC6A4SLC6A2KCNH2SLC6A3
Hydrochloric Acid SCHEMBL21989907 0.86 SLC6A4 (0.47) CYP2D6SLC6A4SLC6A2KCNH2SLC6A3
Hydrochloric Acid SCHEMBL29435243 0.86 SLC6A4 (0.47) CYP2D6SLC6A4SLC6A2KCNH2SLC6A3
Hydrochloric Acid SCHEMBL28302032 0.86 SLC6A4 (0.47) CYP2D6SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL25222580 0.85 SLC6A1 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US claimed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 EP disclosed
EP-1871772-B1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2014-09-10 EP disclosed
US-8044045-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2011-10-25 US disclosed
US-8003664-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2011-08-23 US disclosed
US-7875629-B2 minimal side effects, improved selectivity, potency, pharmacokinetics, and/or duration of action; 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[3-(4-methanesulfonylpiperazine-1-sulfonyl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; reduced motility of the gastrointestinal tract THERAVANCE, INC. (US) 2011-01-25 US disclosed
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2010-11-18 US disclosed
US-20100261716-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2010-10-14 US disclosed
EP-1718643-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2006-11-08 EP disclosed
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2006-09-07 US disclosed
US-20060135764-A1 Indazole-carboxamide compounds THERAVANCE, INC. 2006-06-22 US disclosed
WO-2006052640-A1 5-HT4 RECEPTOR AGONIST COMPOUNDS THERAVANCE, INC. (US) 2006-05-18 WO 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-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
WO-2005080389-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-09-01 WO disclosed
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US disclosed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 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 (10 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-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses CDK1, CCNA1, CDK19 SLC6A1 4632/4885SLC6A11 4582/4885TSHR 3227/4885
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A SLC6A1 1160/4885SLC6A11 1591/4885TSHR 331/4885
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS HTR4, HTR5A, HTR3B SLC6A1 1154/4885SLC6A11 1395/4885TSHR 350/4885
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 SLC6A1 633/4885SLC6A11 796/4885TSHR 345/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 SLC6A1 4656/4885SLC6A11 4254/4885TSHR 2238/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B SLC6A1 1154/4885SLC6A11 1395/4885TSHR 350/4885
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 SLC6A1 1329/4885SLC6A11 933/4885TSHR 157/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C SLC6A1 1686/4885SLC6A11 2290/4885TSHR 359/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 SLC6A1 3903/4885SLC6A11 4050/4885TSHR 598/4885
US-20100261716-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR3B SLC6A1 1427/4885SLC6A11 1613/4885TSHR 308/4885

“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.