SCHEMBL5563456

SCHEMBL5563456

CSc1ccc(OCC2CCNCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
SLC6A2 P23975 7/20 0.55
SLC6A4 P31645 7/20 0.55
HTR3A P46098 2/20 0.55
KCNH2 Q12809 2/20 0.55
SLC6A3 Q01959 3/20 0.55
KHK P50053 2/20 0.48
KDM1A O60341 3/20 0.48
CYP2D6 P10635 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
GPR4 P46093 1/20 0.43
EP300 Q09472 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL7920290 0.88 PARP15 (0.50) TDP1
SCHEMBL6223467 0.84 TDP1 (0.48) TDP1SLC6A2SLC6A4ITGB3ITGA2B
SCHEMBL12718779 0.83 ITGB3 (0.51) TDP1SLC6A4ITGB3ITGA2B
SCHEMBL82372 0.81 TDP1 (0.73) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL14863368 0.78 TDP1 (0.68) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL3244911 0.78 SLC6A2 (0.77) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL2460394 0.78 TDP1 (0.68) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL3251238 0.78 TDP1 (0.68) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL1475391 0.78 TDP1 (0.68) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL796789 0.78 SLC6A2 (0.68) TDP1SLC6A2SLC6A4HTR3AKCNH2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266896-B1 Linear or cyclic ureas, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-01-17 EP disclosed
US-6908922-B2 Anticholesterol agents; cardiovascular disorders LES LABORATOIRES SERVIER (FR) 2005-06-21 US disclosed
US-6903103-B2 Linear cyclic ureas LES LABORATORIES SERVIER (FR) 2005-06-07 US disclosed
EP-1113014-B1 Linear or cyclic ureas, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-04-27 EP disclosed
US-6780868-B2 TREATMENT OF MYOCARDIAL OR PERIPHERAL ISCHAEMIA, CARDIAC INSUFFICIENCY OR PULMONARY ARTERIAL HYPERTENSION LES LABORATOIRES SERVIER (FR) 2004-08-24 US disclosed
US-20030229100-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-12-11 US disclosed
US-20030225105-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-12-04 US disclosed
US-20030191132-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-10-09 US disclosed
US-6566364-B2 Isomers, hydrates, solvates and addition salts in treatment of endothelial dysfunction disease such as atherosclerosis, dyslipidaemia; antidiabetic agents; heart transplantation; inhibition of nitrogen monoxide synthase and oxidative stress LES LABORATOIRES SERVIER (FR) 2003-05-20 US disclosed
EP-1266896-A1 Linear ou cyclic ureas, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP disclosed
US-20010009911-A1 New linear or cyclic ureas LES LABORATOIRES SERVIER (FR) 2001-07-26 US disclosed
EP-1113014-A1 Linear or cyclic ureas, a process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-07-04 EP 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 (4 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-20010009911-A1 New linear or cyclic ureas GUCY1B1, UACA, LIPG TDP1 1887/4885SLC6A2 2924/4885SLC6A4 3681/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 TDP1 1962/4885SLC6A2 3299/4885SLC6A4 4053/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 TDP1 1962/4885SLC6A2 3299/4885SLC6A4 4053/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 TDP1 1962/4885SLC6A2 3299/4885SLC6A4 4053/4885

“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.