SCHEMBL5564015

SCHEMBL5564015

O=C(NC1CCN(CCc2coc3ccccc23)CC1)n1ccc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.44
HTR2A P28223 16/20 0.44
DRD3 P35462 16/20 0.44
DRD4 P21917 1/20 0.44
MAOB P27338 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL6215166 0.82 MAOB (0.53) DRD2HTR2ADRD3DRD4MAOB
SCHEMBL5563913 0.78 TSHR (0.57) DRD2HTR2ADRD3MAOB
SCHEMBL5568960 0.77 NPC1 (0.55) DRD2HTR2ADRD3MAOB
SCHEMBL5567706 0.77 KCNA3 (0.54) DRD2HTR2ADRD3
SCHEMBL6214213 0.76 DRD2 (0.50) DRD2HTR2ADRD3
SCHEMBL5569638 0.74 TSHR (0.54) DRD2HTR2ADRD3MAOB
SCHEMBL5568634 0.73 NPC1 (0.53) DRD2HTR2ADRD3DRD4MAOB
SCHEMBL6216843 0.73 DRD2 (0.59) DRD2HTR2ADRD3ADRA1AADRA1B
SCHEMBL27900168 0.72 NOTUM (0.48)
SCHEMBL5564087 0.72 DRD2 (0.50) DRD2HTR2ADRD3DRD4

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 DRD2 3536/4885HTR2A 2477/4885DRD3 2304/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885HTR2A 2171/4885DRD3 2124/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885HTR2A 2171/4885DRD3 2124/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885HTR2A 2171/4885DRD3 2124/4885

“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.