SCHEMBL8246290

SCHEMBL8246290

CN(CCN(C)S(=O)(=O)C(C)(C)C)[C@@H]1CCN(S(C)(=O)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TSHR P16473 1/20 0.34
PGR P06401 5/20 0.33
CYP2D6 P10635 4/20 0.33
CYP2C9 P11712 4/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 1/20 0.31
NPY5R Q15761 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ATM Q13315 1/20 0.31
LTA4H P09960 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
SCHEMBL8427910 0.83 KMT2A (0.42) KMT2AJAK2JAK1TSHRPGR
SCHEMBL8239163 0.78 KMT2A (0.39) KMT2AJAK2JAK1TSHRCYP2D6
SCHEMBL8422637 0.76 KMT2A (0.41) KMT2AJAK2JAK1TSHRPGR
SCHEMBL8248983 0.76 KMT2A (0.42) KMT2AJAK2JAK1TSHRCYP2D6
SCHEMBL16016384 0.75 KMT2A (0.43) KMT2AJAK2JAK1TSHRPGR
SCHEMBL774018 0.74 KMT2A (0.43) KMT2AJAK2JAK1TSHRPGR
SCHEMBL12227443 0.72 JAK2 (0.40) KMT2AJAK2JAK1TSHRPGR
SCHEMBL8238338 0.72 JAK2 (0.40) KMT2AJAK2JAK1TSHRPGR
SCHEMBL12227449 0.72 JAK2 (0.40) KMT2AJAK2JAK1TSHRPGR
SCHEMBL8282088 0.71 JAK2 (0.44) KMT2AJAK2JAK1TSHRPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875629-B2 minimal side effects, improved selectivity, potency, pharmacokinetics, and/or duration of action; 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[3-(4-methanesulfonylpiperazine-1-sulfonyl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; reduced motility of the gastrointestinal tract THERAVANCE, INC. (US) 2011-01-25 US disclosed
US-20090036483-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-02-05 US disclosed
US-7446114-B2 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-11-04 US disclosed
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2006-09-07 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 (2 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-20090036483-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A KMT2A 2124/4885JAK2 936/4885JAK1 1871/4885
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A KMT2A 2124/4885JAK2 936/4885JAK1 1871/4885

“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.