SCHEMBL963484

SCHEMBL963484

CC(=O)N1CCN(S(=O)(=O)CCCCl)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 1/20 0.37
PIK3CD O00329 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTR4 Q13639 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
EPHX2 P34913 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
SCHEMBL4075718 0.84 RAB9A (0.41) L3MBTL1POLBNPSR1ALDH1A1RAB9A
SCHEMBL18711919 0.80 ALDH1A1 (0.52) L3MBTL1POLBNPSR1CYP1A2TDP1
SCHEMBL1389641 0.80 L3MBTL1 (0.38) L3MBTL1POLBNPSR1CYP1A2TDP1
SCHEMBL12303023 0.79 POLB (0.58) L3MBTL1POLBNPSR1CYP1A2TDP1
SCHEMBL960091 0.79 GPR119 (0.43) SMN1; SMN2USP2
SCHEMBL1667133 0.78 L3MBTL1 (0.45) L3MBTL1POLBNPSR1MEN1KMT2A
SCHEMBL13411083 0.77 EPHX2 (0.49) L3MBTL1CYP1A2ALDH1A1RAB9ALMNA
SCHEMBL1770819 0.75 EPHX2 (0.38) L3MBTL1POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL16235813 0.75 EPHX2 (0.38) POLBKMT2AALDH1A1USP2TSHR
SCHEMBL16235574 0.74 CTSS (0.36) L3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871772-B1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2014-09-10 EP disclosed
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 L3MBTL1 4797/4885POLB 3223/4885NPSR1 58/4885
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A L3MBTL1 4797/4885POLB 3223/4885NPSR1 58/4885

“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.