SCHEMBL3046589

SCHEMBL3046589

COC(CNCc1cccnc1)CN1C2C[CH]CC1(C(N)=O)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
VNN1 O95497 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NAMPT P43490 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL3459353 1.00 RECQL (0.35) RECQLGPR88ALDH1A1KMT2ATSHR
SCHEMBL3459962 0.88 RECQL (0.38) RECQLVNN1CYP2C9CYP2C19NAMPT
SCHEMBL3035579 0.83 KDM4E (0.35) RECQLALDH1A1KMT2ATSHRKDM4E
SCHEMBL3029558 0.82 KCNA5 (0.33) ALDH1A1KMT2ATSHRKDM4EHSD17B10
SCHEMBL3035669 0.80
SCHEMBL3045272 0.78
SCHEMBL13276042 0.76 CYP1A2 (0.43) ALDH1A1KDM4ETDP1NPSR1LMNA
SCHEMBL13275839 0.76 CYP1A2 (0.43) ALDH1A1KDM4ETDP1NPSR1LMNA
SCHEMBL3029556 0.74 CRY1 (0.40) ALDH1A1TSHRL3MBTL1
SCHEMBL3029553 0.72 ADRB3 (0.32) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8575192-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2013-11-05 US disclosed
US-8309575-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2012-11-13 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
EP-1735304-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2006-12-27 EP disclosed
WO-2005100350-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-10-27 WO 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 RECQL 2479/4885GPR88 70/4885ALDH1A1 2540/4885
US-20070270457-A1 Quinolinone-carboxamide compounds as 5-HT, receptor agonists HTR4, HTR5A, HTR1A RECQL 2178/4885GPR88 69/4885ALDH1A1 2360/4885
US-20160376264-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A RECQL 2479/4885GPR88 70/4885ALDH1A1 2540/4885
US-20150291580-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A RECQL 2479/4885GPR88 70/4885ALDH1A1 2540/4885
US-20080176895-A1 Quinolinone-carboxamide compounds as 5-HT4, receptor agonists HTR4, HTR5A, HTR1A RECQL 2410/4885GPR88 72/4885ALDH1A1 2659/4885
US-20170334901-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A RECQL 2479/4885GPR88 70/4885ALDH1A1 2540/4885
US-20070281970-A1 Quinolinone-Carboxamide Compounds as 5-Ht4 Receptor Agonists HTR4, HTR7, HTR3C RECQL 1682/4885GPR88 110/4885ALDH1A1 2408/4885
US-20140163063-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A RECQL 2479/4885GPR88 70/4885ALDH1A1 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.