SCHEMBL3035583

SCHEMBL3035583

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
SCHEMBL4669731 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL2918659 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL2911931 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735304-B1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2009-01-07 EP claimed
US-7375114-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-05-20 US claimed
US-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2005-10-13 US claimed
US-9873692-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 US disclosed
US-20170334901-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-23 US disclosed
US-9630960-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-04-25 US disclosed
US-20160376264-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-29 US disclosed
US-9353106-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-05-31 US disclosed
US-20150291580-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-15 US disclosed
US-8962653-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-24 US disclosed
US-20140163063-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2014-06-12 US disclosed
US-7763637-B2 Quinolinone-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. (US) 2010-07-27 US disclosed
US-7728006-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-06-01 US disclosed
US-7592355-B2 Quinolinone-carboxamide compounds as 5-HT, receptor agonists THERAVANCE, INC. (US) 2009-09-22 US disclosed
EP-1735304-B1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2009-01-07 EP disclosed
US-20080176895-A1 Quinolinone-carboxamide compounds as 5-HT4, receptor agonists ALFASIGMA S.P.A. (IT) 2008-07-24 US disclosed
US-7375114-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-05-20 US disclosed
US-20070281970-A1 Quinolinone-Carboxamide Compounds as 5-Ht4 Receptor Agonists ALFASIGMA S.P.A. (IT) 2007-12-06 US disclosed
US-20070270457-A1 Quinolinone-carboxamide compounds as 5-HT, receptor agonists ALFASIGMA S.P.A. (IT) 2007-11-22 US disclosed
US-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2005-10-13 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 (8 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-20070270457-A1 Quinolinone-carboxamide compounds as 5-HT, receptor agonists HTR4, HTR5A, HTR1A PER2 2668/4885CRY1 3085/4885CRY2 2598/4885
US-20160376264-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A PER2 2844/4885CRY1 3312/4885CRY2 2733/4885
US-20150291580-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A PER2 2844/4885CRY1 3312/4885CRY2 2733/4885
US-20080176895-A1 Quinolinone-carboxamide compounds as 5-HT4, receptor agonists HTR4, HTR5A, HTR1A PER2 2581/4885CRY1 2927/4885CRY2 2451/4885
US-20170334901-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A PER2 2844/4885CRY1 3312/4885CRY2 2733/4885
US-20070281970-A1 Quinolinone-Carboxamide Compounds as 5-Ht4 Receptor Agonists HTR4, HTR7, HTR3C PER2 2758/4885CRY1 2873/4885CRY2 2614/4885
US-20140163063-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A PER2 2844/4885CRY1 3312/4885CRY2 2733/4885

“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.