SCHEMBL4205406

SCHEMBL4205406

CN(C)C(=O)N(CCN1[C@@H]2C[CH]C[C@@]1(C(N)=O)CC2)[C@@H]1CCS(=O)(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIN1 Q13526 1/20 0.33
TP53 P04637 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
HTT P42858 1/20 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
SCHEMBL16005763 1.00 L3MBTL1 (0.34) L3MBTL1KDM4ECYP3A4ALDH1A1SMN1; SMN2
SCHEMBL4203563 0.90 CYP3A4 (0.35) L3MBTL1KDM4ECYP3A4PIN1TP53
SCHEMBL3407981 0.89 KDM4E (0.35) L3MBTL1KDM4ECYP3A4TP53GAA
SCHEMBL3410149 0.85 KDM4E (0.30) KDM4E
SCHEMBL5047855 0.85 KDM4E (0.30) KDM4E
SCHEMBL16005762 0.84 MAPT (0.33) L3MBTL1KDM4EGAA
SCHEMBL4203147 0.84 MAPT (0.33) L3MBTL1KDM4EGAA
SCHEMBL3414070 0.83 KDM4E (0.30) KDM4E
SCHEMBL2969739 0.78 L3MBTL1 (0.32) L3MBTL1KDM4ETP53
SCHEMBL16005779 0.75 SMN1; SMN2 (0.31) L3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036483-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-02-05 US claimed
US-7446114-B2 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-11-04 US claimed
EP-1871772-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2008-01-02 EP claimed
WO-2006094063-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2006-09-08 WO claimed
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2006-09-07 US claimed
EP-1871772-B1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2014-09-10 EP 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 4797/4885KDM4E 1499/4885CYP3A4 191/4885
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A L3MBTL1 4797/4885KDM4E 1499/4885CYP3A4 191/4885

“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.