SCHEMBL2911931

SCHEMBL2911931

CN(C[C@H](O)CN1[C@@H]2C[CH]C[C@@]1(C(N)=O)CC2)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PER2 O15055 16/20 0.39
CRY1 Q16526 16/20 0.39
CRY2 Q49AN0 16/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR4 Q13639 4/20 0.34
HTR3A P46098 1/20 0.32

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
SCHEMBL3035583 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL4669731 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL2918659 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL2909266 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL3040095 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
Hydrochloric Acid SCHEMBL2912478 0.99 PER2 (0.38) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL3043624 0.88 PER2 (0.42) PER2CRY1CRY2
SCHEMBL3792794 0.88 PER2 (0.42) PER2CRY1CRY2
SCHEMBL3045274 0.87
SCHEMBL1073407 0.86 HTR4 (0.34) HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11642339-B2 Methods of treating symptoms of gastroparesis using velusetrag THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-05-09 US claimed
US-20190030022-A1 METHODS OF TREATING SYMPTOMS OF GASTROPARESIS USING VELUSETRAG THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-01-31 US claimed
EP-2419104-B1 COMBINATIONS OF 5-HT4 RECEPTOR AGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR TREATMENT OF COGNITIVE DISORDERS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-11-08 EP claimed
US-9402840-B2 Crystalline form of a quinolinone-carboxamide compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-08-02 US claimed
US-20160095849-A1 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-04-07 US claimed
US-9126994-B2 Crystalline form of a quinolinone-carboxamide compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-09-08 US claimed
US-20140256769-A1 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND THERAVANCE, INC. (US) 2014-09-11 US claimed
US-20140057939-A1 5-HT4 RECEPTOR AGONIST COMPOUNDS FOR TREATMENT OF COGNITIVE DISORDERS THERAVANCE, INC. (US) 2014-02-27 US claimed
US-8658671-B2 Crystalline form of a quinolinone-carboxamide compound THERAVANCE, INC. (US) 2014-02-25 US claimed
US-8404711-B2 5-HT4 receptor agonist compounds for treatment of cognitive disorders THERAVANCE, INC. (US) 2013-03-26 US claimed
US-7763637-B2 Quinolinone-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. (US) 2010-07-27 US claimed
US-7728004-B2 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. (US) 2010-06-01 US claimed
EP-1735304-B1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2009-01-07 EP claimed
US-20080287486-A1 Prokinetic agent for bowel preparation THERAVANCE, INC. 2008-11-20 US claimed
US-20080176895-A1 Quinolinone-carboxamide compounds as 5-HT4, receptor agonists ALFASIGMA S.P.A. (IT) 2008-07-24 US claimed
US-7375114-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-05-20 US claimed
EP-1735304-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2006-12-27 EP claimed
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 claimed
WO-2005100350-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-10-27 WO claimed
US-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2005-10-13 US claimed

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

For each of this compound's patents that has machine-readable text (9 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 PER2 2844/4885CRY1 3312/4885CRY2 2733/4885
US-20080287486-A1 Prokinetic agent for bowel preparation PROKR1, PROKR2, MLNR PER2 3093/4885CRY1 4535/4885CRY2 4355/4885
US-20140256769-A1 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND HTR5A, HTR4, HTR2C PER2 3469/4885CRY1 2791/4885CRY2 2695/4885
US-20160095849-A1 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND HTR5A, HTR4, HTR2C PER2 3469/4885CRY1 2791/4885CRY2 2695/4885
US-20080176895-A1 Quinolinone-carboxamide compounds as 5-HT4, receptor agonists HTR4, HTR5A, HTR1A PER2 2581/4885CRY1 2927/4885CRY2 2451/4885
US-11642339-B2 Methods of treating symptoms of gastroparesis using velusetrag SLC10A2, GIPR, VIPR2 PER2 1954/4885CRY1 3390/4885CRY2 2884/4885
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 PER2 3039/4885CRY1 3340/4885CRY2 3482/4885
US-20190030022-A1 METHODS OF TREATING SYMPTOMS OF GASTROPARESIS USING VELUSETRAG SLC10A2, GIPR, VIPR2 PER2 1954/4885CRY1 3390/4885CRY2 2884/4885
US-20140057939-A1 5-HT4 RECEPTOR AGONIST COMPOUNDS FOR TREATMENT OF COGNITIVE DISORDERS HTR4, HTR5A, HTR3B PER2 3473/4885CRY1 4338/4885CRY2 4034/4885

“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.