Sugi Predict

Sugi Predict / Compounds / SCHEMBL3979933

SCHEMBL3979933

SCHEMBL3979933

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL1022505 0.88 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL1022503 0.88 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL1021565 0.88 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL2980596 0.88 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL2980473 0.85 CYP2D6 (0.31) CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL3413738 0.83 KDM1A (0.35) SMN1; SMN2ALDH1A1
SCHEMBL4202290 0.80 MEN1 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL5943092 0.79 ALDH1A1 (0.30) SMN1; SMN2ALDH1A1
SCHEMBL3983379 0.78 HRH3 (0.32) ALDH1A1
SCHEMBL3986065 0.78 HRH3 (0.32) ALDH1A1

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
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
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 CYP2D6 626/4885SMN1; SMN2 2609/4885ALDH1A1 1400/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C CYP2D6 685/4885SMN1; SMN2 3575/4885ALDH1A1 2114/4885

“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.