SCHEMBL5564087

SCHEMBL5564087

NC1CCN(CCc2coc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.50
SLC6A4 P31645 2/20 0.50
HTR1A P08908 5/20 0.47
SIGMAR1 Q99720 2/20 0.44
SPHK1 Q9NYA1 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
DRD3 P35462 4/20 0.40
HTR2A P28223 2/20 0.40
DRD4 P21917 2/20 0.40
CA2 P00918 1/20 0.40
GPR6 P46095 1/20 0.39

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
SCHEMBL5569217 0.92 SLC6A4 (0.48) DRD2SLC6A4HTR1ASIGMAR1SPHK1
SCHEMBL6214207 0.86 HTR1A (0.48) DRD2SLC6A4HTR1ASIGMAR1DRD3
SCHEMBL6215084 0.86 SIGMAR1 (0.55) DRD2SLC6A4HTR1ASIGMAR1DRD3
SCHEMBL5563918 0.83 HTR1A (0.52) DRD2SLC6A4HTR1ASIGMAR1DRD3
SCHEMBL6214213 0.83 DRD2 (0.50) DRD2SLC6A4HTR1ASIGMAR1CHRNB2
SCHEMBL18872185 0.81 HTR1A (0.53) DRD2SLC6A4HTR1ASIGMAR1DRD3
SCHEMBL6212534 0.81 L3MBTL1 (0.50) DRD2SLC6A4HTR1ASIGMAR1DRD3
SCHEMBL5568304 0.80 HTR1A (0.52) DRD2SLC6A4HTR1ASIGMAR1DRD3
SCHEMBL6215166 0.79 MAOB (0.53) DRD2SIGMAR1DRD3HTR2ADRD4
SCHEMBL6214493 0.79 HTR1A (0.51) SLC6A4HTR1ASIGMAR1

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 19 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-1122254-B1 4-Sulfonamide piperidine derivatives, method for their preparation and phamaceutical 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-6323217-B2 CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-27 US disclosed
US-20010034352-A1 Piperidine-4 sulphonamide compounds LES LABORATOIRES SERVIER (FR) 2001-10-25 US disclosed
EP-1122254-A2 4-Sulfonamide piperidine derivatives, method for their preparation and phamaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-08-08 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 (6 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 3536/4885SLC6A4 3681/4885HTR1A 1343/4885
US-20010034352-A1 Piperidine-4 sulphonamide compounds KDR, GLS, FLT1 DRD2 125/4885SLC6A4 918/4885HTR1A 94/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885SLC6A4 4053/4885HTR1A 1186/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885SLC6A4 4053/4885HTR1A 1186/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885SLC6A4 4053/4885HTR1A 1186/4885
US-20020065419-A1 Cyclobutenedione compounds NR3C2, NR5A1, CYP11B1 DRD2 1338/4885SLC6A4 4410/4885HTR1A 1269/4885

“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.