SCHEMBL5564121

SCHEMBL5564121

O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)N1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.51
HTR7 P34969 6/20 0.51
HTR1A P08908 5/20 0.51
LTA4H P09960 4/20 0.51
DRD2 P14416 4/20 0.49
HTR6 P50406 2/20 0.49
HTR2A P28223 2/20 0.47
DRD3 P35462 2/20 0.47
KDM1A O60341 1/20 0.46
SSTR4 P31391 1/20 0.45

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
SCHEMBL6300800 0.81 LMNA (0.47)
SCHEMBL6300842 0.81 KCNA5 (0.53) NPC1RAB9ASMN1; SMN2HTR7HTR1A
SCHEMBL5563471 0.79 MAPT (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL3602514 0.79 LTA4H (0.60) HTR7HTR1ALTA4HDRD2HTR6
SCHEMBL226841 0.77 HTR2A (0.58) NPC1RAB9ASMN1; SMN2HTR7DRD2
SCHEMBL226842 0.77 HTR2A (0.58) NPC1RAB9ASMN1; SMN2HTR7DRD2
SCHEMBL6294864 0.76 HTR5A (0.57) SMN1; SMN2HTR7HTR1ADRD2HTR2A
SCHEMBL6294847 0.74 LMNA (0.48) LTA4HDRD2DRD3
SCHEMBL1863598 0.73 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL1865726 0.73 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2TSHR

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 11 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
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 NPC1 1869/4885RAB9A 1919/4885SMN1; SMN2 2531/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 NPC1 2295/4885RAB9A 2287/4885SMN1; SMN2 2916/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 NPC1 2295/4885RAB9A 2287/4885SMN1; SMN2 2916/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 NPC1 2295/4885RAB9A 2287/4885SMN1; SMN2 2916/4885

“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.