SCHEMBL3332407

SCHEMBL3332407

CCCCOC(=O)NC1CNC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.52
ACHE P22303 14/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX1 P07099 1/20 0.44

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
Hydrochloric Acid SCHEMBL23850454 0.98 NAAA (0.51) NAAAACHEGAAMAPK1HTT
Acetic Acid SCHEMBL4473079 0.95 NAAA (0.49) NAAAACHEGAAMAPK1HTT
SCHEMBL951710 0.87 GAA (0.50) NAAAACHEGAAMAPK1HTT
SCHEMBL28229178 0.87 GAA (0.50) NAAAACHEGAAMAPK1HTT
SCHEMBL28246288 0.87 GAA (0.50) NAAAACHEGAAMAPK1HTT
SCHEMBL22236153 0.85 NAAA (0.51) NAAAACHEGAAMAPK1HTT
Bicarbonate SCHEMBL9827045 0.85 GAA (0.48) NAAAACHEGAAMAPK1HTT
SCHEMBL791466 0.85 MAPK1 (0.48) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL29842368 0.85 MAPK1 (0.48) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL31580592 0.85 MAPK1 (0.48) NAAAGAAMAPK1HTTSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175999-A2 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2024-08-29 WO disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
CN-101959882-B Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2013-09-11 CN disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
US-7514562-B2 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2009-04-07 US disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed
US-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2006-12-07 US disclosed
EP-1601665-A2 UREA DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-07 EP disclosed
WO-2004078744-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO 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-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain TRPV1, UTS2R, OPRL1 NAAA 1596/4885ACHE 474/4885GAA 4060/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 NAAA 624/4885ACHE 2710/4885GAA 1331/4885

“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.