SCHEMBL3033384

SCHEMBL3033384

CC(C)n1c(=O)c(C(=O)O)cc2c(Br)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PRNP P04156 1/20 0.42
MAPT P10636 1/20 0.41
NPY5R Q15761 3/20 0.40
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
HTR4 Q13639 3/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL2010294 0.84 POLB (0.46) POLBHTTMEN1KMT2ACYP1A2
SCHEMBL2010464 0.83 MEN1 (0.46) POLBHTTMEN1KMT2ACYP1A2
SCHEMBL2012525 0.83 POLB (0.44) POLBHTTMEN1KMT2ACYP1A2
SCHEMBL25209466 0.81 KMT2A (0.48) MEN1KMT2APRNPRXFP1KDM4E
SCHEMBL961272 0.77 HTR4 (0.57) POLBHTTHTR4
SCHEMBL30827426 0.77 HTR4 (0.57) POLBHTTHTR4
Hydrochloric Acid SCHEMBL9020820 0.75 HTR4 (0.56) POLBHTTHTR4
SCHEMBL19643772 0.74 DHFR (0.43) POLBHTTMEN1KMT2ACYP1A2
SCHEMBL14760382 0.74 NOTUM (0.43) POLBHTTMEN1KMT2ACYP1A2
SCHEMBL7430518 0.74 HTR3E (0.56) POLBHTTMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100569771-C As 5-HT4Quinolinone-carboxamide compounds as receptor agonists THERAVANCE INC (US) 2009-12-16 CN claimed
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
CN-1946719-A As 5-HT4Quinolinone-carboxamide compounds as receptor agonists THERAVANCE INC (US) 2007-04-11 CN 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-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
CN-1946719-A As 5-HT4Quinolinone-carboxamide compounds as receptor agonists THERAVANCE INC (US) 2007-04-11 CN 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 (7 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 POLB 3728/4885HTT 406/4885MEN1 1587/4885
US-20070270457-A1 Quinolinone-carboxamide compounds as 5-HT, receptor agonists HTR4, HTR5A, HTR1A POLB 3586/4885HTT 334/4885MEN1 1392/4885
US-20160376264-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A POLB 3728/4885HTT 406/4885MEN1 1587/4885
US-20150291580-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A POLB 3728/4885HTT 406/4885MEN1 1587/4885
US-20080176895-A1 Quinolinone-carboxamide compounds as 5-HT4, receptor agonists HTR4, HTR5A, HTR1A POLB 3874/4885HTT 356/4885MEN1 1416/4885
US-20170334901-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A POLB 3728/4885HTT 406/4885MEN1 1587/4885
US-20070281970-A1 Quinolinone-Carboxamide Compounds as 5-Ht4 Receptor Agonists HTR4, HTR7, HTR3C POLB 3929/4885HTT 354/4885MEN1 1341/4885

“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.