SCHEMBL3029558

SCHEMBL3029558

COC(CNC(c1cccnc1)S(C)(=O)=O)CN1[C@@H]2C[CH]C[C@@]1(C(N)=O)CC2

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.33
TP53 P04637 7/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL3029553 0.90 ADRB3 (0.32) KCNA5ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL3046589 0.82 RECQL (0.35) TP53ALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL13276124 0.79 ALDH1A1 (0.35) KCNA5ALDH1A1KMT2AMEN1MAPK1
SCHEMBL3035669 0.77
SCHEMBL3029556 0.71 CRY1 (0.40) ALDH1A1GAATSHRHTT
SCHEMBL2980473 0.70 CYP2D6 (0.31) TP53ALDH1A1SMN1; SMN2
SCHEMBL13276241 0.70 ADRB3 (0.36) ALDH1A1TSHRSMN1; SMN2ADRB1ADRB3
SCHEMBL3035537 0.68
SCHEMBL4951329 0.68 PER2 (0.38)
SCHEMBL3962539 0.68 PER2 (0.38)

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 KCNA5 664/4885TP53 4762/4885ALDH1A1 2540/4885
US-20070270457-A1 Quinolinone-carboxamide compounds as 5-HT, receptor agonists HTR4, HTR5A, HTR1A KCNA5 669/4885TP53 4766/4885ALDH1A1 2360/4885
US-20160376264-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A KCNA5 664/4885TP53 4762/4885ALDH1A1 2540/4885
US-20150291580-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A KCNA5 664/4885TP53 4762/4885ALDH1A1 2540/4885
US-20080176895-A1 Quinolinone-carboxamide compounds as 5-HT4, receptor agonists HTR4, HTR5A, HTR1A KCNA5 652/4885TP53 4767/4885ALDH1A1 2659/4885
US-20170334901-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A KCNA5 664/4885TP53 4762/4885ALDH1A1 2540/4885
US-20070281970-A1 Quinolinone-Carboxamide Compounds as 5-Ht4 Receptor Agonists HTR4, HTR7, HTR3C KCNA5 439/4885TP53 4144/4885ALDH1A1 2408/4885
US-20140163063-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A KCNA5 664/4885TP53 4762/4885ALDH1A1 2540/4885

“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.