SCHEMBL1022503

SCHEMBL1022503

CS(=O)(=O)N1CCN(C[C@H](O)CN2[C@@H]3C[CH]C[C@@]2(C(N)=O)CC3)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 16/20 0.37
HTR3A P46098 10/20 0.36
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 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
SCHEMBL2980596 1.00 HTR4 (0.37) HTR4HTR3ACYP2D6SMN1; SMN2PRMT5
SCHEMBL1021565 1.00 HTR4 (0.37) HTR4HTR3ACYP2D6SMN1; SMN2PRMT5
SCHEMBL1022505 1.00 HTR4 (0.37) HTR4HTR3ACYP2D6SMN1; SMN2PRMT5
SCHEMBL3983379 0.90 HRH3 (0.32) HTR4
SCHEMBL3986065 0.90 HRH3 (0.32) HTR4
SCHEMBL3983380 0.88 KDM4E (0.38) CYP2D6SMN1; SMN2
SCHEMBL3986069 0.88 KDM4E (0.38) CYP2D6SMN1; SMN2
SCHEMBL3979933 0.88 CYP2D6 (0.32) CYP2D6SMN1; SMN2
SCHEMBL2980473 0.87 CYP2D6 (0.31) CYP2D6SMN1; SMN2
SCHEMBL2975908 0.85 PIK3CD (0.37) PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902053-B1 BENZOIMIDAZOLONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2011-01-12 EP claimed
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2010-11-18 US claimed
US-7772239-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-08-10 US claimed
EP-1831211-B1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2010-06-02 EP claimed
EP-1807423-B1 QUINOLINONE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2009-05-20 EP claimed
US-7498442-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2009-03-03 US claimed
US-20080167295-A1 Containing a nortropane ring, e.g., 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[2-hydroxy-3-(4-methanesulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-07-10 US claimed
US-7396933-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2008-07-08 US claimed
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-03-20 US claimed
US-7317022-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. (US) 2008-01-08 US claimed
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. 2006-12-07 US claimed
US-20060135764-A1 Indazole-carboxamide compounds THERAVANCE, INC. 2006-06-22 US claimed
US-20060100426-A1 Quinolinone-carboxamide compounds THERAVANCE, INC. 2006-05-11 US claimed
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2010-11-18 US disclosed
US-7786136-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2010-08-31 US disclosed
US-7772239-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-08-10 US disclosed
US-7317022-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. (US) 2008-01-08 US disclosed
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. 2006-12-07 US disclosed
US-20060135764-A1 Indazole-carboxamide compounds THERAVANCE, INC. 2006-06-22 US disclosed
US-20060100426-A1 Quinolinone-carboxamide compounds THERAVANCE, INC. 2006-05-11 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 (6 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-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists HTR4, HTR5A, HTR1A HTR4 1/4885HTR3A 12/4885CYP2D6 1122/4885
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS HTR4, HTR5A, HTR3B HTR4 1/4885HTR3A 7/4885CYP2D6 594/4885
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A HTR4 1/4885HTR3A 12/4885CYP2D6 1091/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B HTR4 1/4885HTR3A 7/4885CYP2D6 594/4885
US-20080167295-A1 Containing a nortropane ring, e.g., 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[2-hydroxy-3-(4-methanesulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; 5-HT4 receptor agonists HTR5A, HTR4, HTR1A HTR4 2/4885HTR3A 6/4885CYP2D6 626/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C HTR4 1/4885HTR3A 14/4885CYP2D6 685/4885

“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.