SCHEMBL4207946

SCHEMBL4207946

NC(=O)[C@]12C[CH]C[C@H](CC1)N2CCS(=O)(=O)CCN1CCN(C(=O)C2CCCO2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FASN P49327 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 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
SCHEMBL4958781 1.00 PKM (0.39) PKMTSHRALDH1A1KDM4EKMT2A
SCHEMBL3414025 0.91 TSHR (0.42) PKMTSHRALDH1A1KDM4EKMT2A
SCHEMBL4204812 0.85 PKM (0.43) PKMTSHRALDH1A1KDM4EKMT2A
SCHEMBL4210764 0.85 TSHR (0.36) PKMTSHRALDH1A1KDM4EKMT2A
SCHEMBL2977046 0.82 TSHR (0.40) PKMTSHRALDH1A1KDM4EKMT2A
SCHEMBL2981293 0.82 TSHR (0.40) PKMTSHRALDH1A1KDM4EKMT2A
SCHEMBL1021584 0.82 TSHR (0.40) PKMTSHRALDH1A1KDM4EKMT2A
SCHEMBL4725094 0.82 TSHR (0.40) PKMTSHRALDH1A1KDM4EKMT2A
SCHEMBL2977050 0.82 TSHR (0.40) PKMTSHRALDH1A1KDM4EKMT2A
SCHEMBL1021583 0.82 TSHR (0.40) PKMTSHRALDH1A1KDM4EKMT2A

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 10 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 claimed
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
EP-1871772-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2008-01-02 EP disclosed
WO-2006094063-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2006-09-08 WO 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 PKM 3429/4885TSHR 331/4885ALDH1A1 2375/4885
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A PKM 3429/4885TSHR 331/4885ALDH1A1 2375/4885

“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.