SCHEMBL4206306

SCHEMBL4206306

CN1CCN(S(=O)(=O)CCCN2[C@@H]3C[CH]C[C@@]2(C(N)=O)CC3)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.33
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 1/20 0.32
SMYD3 Q9H7B4 1/20 0.30
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4210058 0.93 HTR4 (0.34) HTR4KDM4ENPC1ALDH1A1
SCHEMBL4203548 0.91 HTR4 (0.35) HTR4NPC1ALDH1A1
SCHEMBL4206766 0.89 IKBKB (0.31) KDM4E
SCHEMBL4206252 0.84 JAK2 (0.30)
SCHEMBL4206254 0.84 JAK2 (0.30)
SCHEMBL4204812 0.82 PKM (0.43) KDM4EALDH1A1NPSR1
SCHEMBL4203144 0.81 KDM4E (0.34) KDM4EALDH1A1NPSR1
SCHEMBL4966216 0.81 KDM4E (0.34) KDM4EALDH1A1NPSR1
SCHEMBL3411672 0.79 HTR7 (0.32)
SCHEMBL3413738 0.78 KDM1A (0.35) HTR4KDM4EALDH1A1

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 7 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
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 HTR4 1/4885KDM4E 1499/4885NPC1 2442/4885
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A HTR4 1/4885KDM4E 1499/4885NPC1 2442/4885

“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.