SCHEMBL5569638

SCHEMBL5569638

O=C(NC1CCN(CCCc2coc3ccccc23)CC1)N1CCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DRD2 P14416 11/20 0.44
HTR2A P28223 11/20 0.44
DRD3 P35462 11/20 0.44
CHRM1 P11229 2/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5568634 0.95 NPC1 (0.53) TSHRNPC1RAB9ASMN1; SMN2DRD2
SCHEMBL5563913 0.95 TSHR (0.57) TSHRNPC1RAB9ASMN1; SMN2DRD2
SCHEMBL5568960 0.91 NPC1 (0.55) TSHRNPC1RAB9ASMN1; SMN2DRD2
SCHEMBL6295924 0.78 NPC1 (0.48) TSHRNPC1RAB9ASMN1; SMN2DRD2
SCHEMBL6215166 0.77 MAOB (0.53) DRD2HTR2ADRD3MAOB
SCHEMBL5563816 0.76 NPC1 (0.50) TSHRNPC1RAB9ASMN1; SMN2DRD2
SCHEMBL5564015 0.74 DRD2 (0.44) DRD2HTR2ADRD3MAOB
SCHEMBL5567706 0.72 KCNA3 (0.54) DRD2HTR2ADRD3
SCHEMBL4865059 0.72 TSHR (0.67) TSHRNPC1RAB9ASMN1; SMN2DRD2
SCHEMBL5345674 0.71 DRD2 (0.51) DRD2MAOB

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 TSHR 2040/4885NPC1 1869/4885RAB9A 1919/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 TSHR 2031/4885NPC1 2295/4885RAB9A 2287/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 TSHR 2031/4885NPC1 2295/4885RAB9A 2287/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 TSHR 2031/4885NPC1 2295/4885RAB9A 2287/4885

“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.