SCHEMBL3983380

SCHEMBL3983380

CCCS(=O)(=O)N1CCN(CC(O)CN2[C@@H]3C[CH]C[C@@]2(C(N)=O)CC3)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 8/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A9 P48067 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL3986069 1.00 KDM4E (0.38) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2980596 0.88 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL1021565 0.88 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL1022505 0.88 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL1022503 0.88 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL3986065 0.87 HRH3 (0.32) ALDH1A1LMNAUSP2
SCHEMBL3983379 0.87 HRH3 (0.32) ALDH1A1LMNAUSP2
SCHEMBL2975908 0.82 PIK3CD (0.37) KDM4EALDH1A1USP2L3MBTL1ALOX15
SCHEMBL2975909 0.82 PIK3CD (0.37) KDM4EALDH1A1USP2L3MBTL1ALOX15
SCHEMBL2965770 0.82 PIK3CD (0.37) KDM4EALDH1A1USP2L3MBTL1ALOX15

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-1807423-B1 QUINOLINONE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2009-05-20 EP claimed
US-7498442-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2009-03-03 US claimed
US-20080167295-A1 Containing a nortropane ring, e.g., 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[2-hydroxy-3-(4-methanesulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-07-10 US claimed
US-7396933-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2008-07-08 US claimed
US-20060100426-A1 Quinolinone-carboxamide compounds THERAVANCE, INC. 2006-05-11 US claimed
EP-1807423-B1 QUINOLINONE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2009-05-20 EP disclosed
US-7498442-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2009-03-03 US disclosed
US-20080167295-A1 Containing a nortropane ring, e.g., 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[2-hydroxy-3-(4-methanesulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-07-10 US disclosed
US-7396933-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2008-07-08 US disclosed
US-20060100426-A1 Quinolinone-carboxamide compounds THERAVANCE, INC. 2006-05-11 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-20080167295-A1 Containing a nortropane ring, e.g., 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[2-hydroxy-3-(4-methanesulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; 5-HT4 receptor agonists HTR5A, HTR4, HTR1A KDM4E 1340/4885CYP1A2 377/4885CYP2D6 626/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C KDM4E 1306/4885CYP1A2 513/4885CYP2D6 685/4885

“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.