SCHEMBL8426336

SCHEMBL8426336

CCC1CCN(S(=O)(=O)CC)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
KAT8 Q9H7Z6 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 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
SCHEMBL16994751 0.88 TSHR (0.41) ALDH1A1KDM4EPOLBTSHRKAT8
SCHEMBL10265740 0.86 KDM4E (0.44) ALDH1A1KDM4EPOLBTSHRL3MBTL1
SCHEMBL10289418 0.85 TP53 (0.43) ALDH1A1TSHRL3MBTL1GAATP53
SCHEMBL30396227 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBL3MBTL1MAPT
SCHEMBL15014638 0.85 TP53 (0.43) ALDH1A1TSHRL3MBTL1GAATP53
SCHEMBL24456475 0.85 TP53 (0.43) ALDH1A1TSHRL3MBTL1GAATP53
SCHEMBL20706357 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBTP53LMNA
SCHEMBL23564481 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBTP53LMNA
SCHEMBL16977563 0.83 NCF1 (0.43) ALDH1A1KDM4EPOLBTSHRL3MBTL1
SCHEMBL24448935 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBTSHRL3MBTL1

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 ALDH1A1 2375/4885KDM4E 1499/4885POLB 3223/4885
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A ALDH1A1 2375/4885KDM4E 1499/4885POLB 3223/4885

“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.