SCHEMBL5568449

SCHEMBL5568449

NCCN1CCC(CCOc2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
HTR2A P28223 1/20 0.50
DRD3 P35462 1/20 0.50
LTA4H P09960 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNH2 Q12809 1/20 0.50
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL8690689 0.89 LTA4H (0.57) HTR1ADRD2DRD1DRD5HTR2A
SCHEMBL27373071 0.87 NFE2L2 (0.61) LTA4HKCNH2HRH3
SCHEMBL5565689 0.86 TMEM97 (0.59) KCNH2
SCHEMBL5568520 0.86 SIGMAR1 (0.58)
SCHEMBL8693302 0.83 LTA4H (0.60) HTR1ADRD2DRD1DRD5HTR2A
SCHEMBL7326912 0.83 SIGMAR1 (0.52) DRD2HTR2A
SCHEMBL7317615 0.83 ALDH1A1 (0.59) HTR1ADRD2DRD1DRD5HTR2A
SCHEMBL7402218 0.83 HRH3 (0.75) LTA4HMEN1LMNAHTTKMT2A
SCHEMBL5568615 0.82 LTA4H (0.67) HTR1ADRD2DRD1DRD5HTR2A
SCHEMBL6296208 0.82 HTR1A (0.61) HTR1ADRD2DRD1DRD5HTR2A

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 16 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
EP-1197485-B1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis SERVIER LAB (FR) 2004-08-11 EP disclosed
US-6696469-B2 FOR TREATMENT OF DISEASES OR PATHOLOGICAL CONDITIONS IN WHICH ENDOTHELIAL DYSFUNCTION IS KNOWN; ATHEROSCLEROSIS, DYSLIPIDAEMIA, DIABETES LES LABORATOIRES SERVIER (FR) 2004-02-24 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-20020065419-A1 Cyclobutenedione compounds LES LABORATOIRES SERVIER (FR) 2002-05-30 US disclosed
EP-1197485-A1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis Les Laboratoires Servier (FR) 2002-04-17 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 (5 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 HTR1A 1343/4885DRD2 3536/4885DRD1 2657/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR1A 1186/4885DRD2 3284/4885DRD1 2426/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR1A 1186/4885DRD2 3284/4885DRD1 2426/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR1A 1186/4885DRD2 3284/4885DRD1 2426/4885
US-20020065419-A1 Cyclobutenedione compounds NR3C2, NR5A1, CYP11B1 HTR1A 1269/4885DRD2 1338/4885DRD1 749/4885

“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.