SCHEMBL2261600

SCHEMBL2261600

CN(C)C(=O)NC1CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
OPRK1 P41145 1/20 0.47
CDK2AP1 O14519 3/20 0.41
CHEK1 O14757 3/20 0.41
SLC6A1 P30531 2/20 0.40
SLC6A11 P48066 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A13 Q9NSD5 1/20 0.40
PBK Q96KB5 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.39
EPHX1 P07099 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38

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
SCHEMBL16801898 1.00 MAPK1 (0.47) MAPK1OPRK1CDK2AP1CHEK1SLC6A1
SCHEMBL28231320 0.89 EPHX1 (0.45) MAPK1OPRK1LMNAEPHX1CA1
SCHEMBL28231346 0.89 EPHX1 (0.45) MAPK1OPRK1LMNAEPHX1CA1
Hydrochloric Acid SCHEMBL28827123 0.87 EPHX1 (0.44) MAPK1OPRK1LMNAEPHX1CA1
Hydrochloric Acid SCHEMBL28060562 0.87 EPHX1 (0.44) MAPK1OPRK1LMNAEPHX1CA1
SCHEMBL24790610 0.86 EPHX1 (0.55) EPHX1PKM
SCHEMBL18505997 0.81 LMNA (0.39) LMNAKMT2AEPHX1CHRNB2CHRNB4
SCHEMBL1321300 0.79 MAPK1 (0.50) MAPK1OPRK1CDK2AP1CHEK1SLC6A1
SCHEMBL1006531 0.79 MAPK1 (0.50) MAPK1OPRK1CDK2AP1CHEK1SLC6A1
SCHEMBL11949315 0.79 MAPK1 (0.50) MAPK1OPRK1CDK2AP1CHEK1SLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871772-B1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2014-09-10 EP disclosed
US-8003664-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2011-08-23 US disclosed
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2010-11-18 US disclosed
US-7786136-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2010-08-31 US disclosed
EP-1831211-B1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2010-06-02 EP disclosed
EP-1807422-B1 5-HT4 RECEPTOR AGONIST COMPOUNDS THERAVANCE INC (US) 2009-09-02 EP disclosed
EP-1807423-B1 QUINOLINONE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2009-05-20 EP disclosed
US-7534889-B2 For reduced motility of gastrointestinal tract; irritable bowel syndrome (IBS), chronic constipation, dyspepsia, reflux disease; 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid ((1S,3R,5R)-8-{3-[(2-ethylsulfanylethyl)methanesulfonylamino]-2-hydroxypropyl}-8-aza-bicyclo[3.2.1]oct-3-yl)amide THERAVANCE, INC. (US) 2009-05-19 US disclosed
US-7498442-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2009-03-03 US disclosed
US-7446114-B2 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-11-04 US disclosed
US-7396933-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2008-07-08 US disclosed
US-20080132491-A1 Indazole-carboxamide compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-05 US disclosed
EP-1831211-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS Theravance, Inc. (US) 2007-09-12 EP disclosed
EP-1807422-A1 5-HT4 RECEPTOR AGONIST COMPOUNDS Theravance, Inc. (US) 2007-07-18 EP disclosed
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2006-09-07 US disclosed
WO-2006069125-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2006-06-29 WO 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

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

For each of this compound's patents that has machine-readable text (6 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-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A MAPK1 2623/4885OPRK1 67/4885CDK2AP1 3889/4885
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS HTR4, HTR5A, HTR3B MAPK1 3337/4885OPRK1 98/4885CDK2AP1 3466/4885
US-20080132491-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B MAPK1 3337/4885OPRK1 98/4885CDK2AP1 3466/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B MAPK1 3337/4885OPRK1 98/4885CDK2AP1 3466/4885
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 MAPK1 1743/4885OPRK1 83/4885CDK2AP1 2810/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C MAPK1 3303/4885OPRK1 61/4885CDK2AP1 2759/4885

“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.