SCHEMBL2260774

SCHEMBL2260774

CS(=O)(=O)N1CCN(C[C@@H](O)CCl)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR3A P46098 5/20 0.38
HTR4 Q13639 5/20 0.38
PRMT5 O14744 3/20 0.38
WDR77 Q9BQA1 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1024203 1.00 CYP2D6 (0.44) CYP2D6SMN1; SMN2HTR3AHTR4PRMT5
SCHEMBL1024202 1.00 CYP2D6 (0.44) CYP2D6SMN1; SMN2HTR3AHTR4PRMT5
SCHEMBL8391173 0.80 MEN1 (0.52) SMN1; SMN2KDM4EMEN1KMT2AHSD17B10
SCHEMBL9819626 0.80 MEN1 (0.52) SMN1; SMN2KDM4EMEN1KMT2AHSD17B10
SCHEMBL2619230 0.75 CYP2D6 (0.70) CYP2D6SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL9478639 0.75 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL9502114 0.73 PKM (0.57) CYP2D6SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL488808 0.72 MEN1 (0.68) CYP2D6SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL2485840 0.72 CYP2D6 (0.51) CYP2D6SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL357967 0.72 CYP2D6 (0.51) CYP2D6SMN1; SMN2KDM4EALDH1A1MEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003664-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2011-08-23 US disclosed
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
EP-1831211-B1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2010-06-02 EP disclosed
EP-1807423-B1 QUINOLINONE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2009-05-20 EP disclosed
US-7498442-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2009-03-03 US disclosed
US-7419989-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2008-09-02 US disclosed
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 disclosed
US-7396933-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2008-07-08 US disclosed
US-20080132491-A1 Indazole-carboxamide compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-05 US disclosed
CN-101080406-A Indazole-carboxamide compounds THERAVANCE INC (US) 2007-11-28 CN 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 (5 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-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS HTR4, HTR5A, HTR3B CYP2D6 594/4885SMN1; SMN2 3386/4885HTR3A 7/4885
US-20080132491-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B CYP2D6 594/4885SMN1; SMN2 3386/4885HTR3A 7/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B CYP2D6 594/4885SMN1; SMN2 3386/4885HTR3A 7/4885
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 CYP2D6 626/4885SMN1; SMN2 2609/4885HTR3A 6/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C CYP2D6 685/4885SMN1; SMN2 3575/4885HTR3A 14/4885

“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.