SCHEMBL5569587

SCHEMBL5569587

COc1ccc2c(ccn2C(=O)NCCN2CCC(COc3ccc(F)cc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.49
HTR2A P28223 1/20 0.44
CCR3 P51677 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HTR1A P08908 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD4 P21917 1/20 0.42
SSTR5 P35346 1/20 0.42
KCNH2 Q12809 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
SCHEMBL5568390 0.92 CARM1 (0.52) CHRNA7HTR2ACCR3MTNR1AMTNR1B
SCHEMBL5568456 0.91 HTR2A (0.42) CHRNA7HTR2ACCR3MTNR1AMTNR1B
SCHEMBL5569687 0.88 CARM1 (0.50) CHRNA7
SCHEMBL5563582 0.87 CARM1 (0.47) CHRNA7
SCHEMBL5568882 0.87 CHRNA7 (0.45) CHRNA7SSTR5KCNH2
SCHEMBL5568641 0.85 CARM1 (0.52) CHRNA7HTR2ACCR3MTNR1AMTNR1B
SCHEMBL5563921 0.84 CHRNA7 (0.42) CHRNA7CCR3HTR1A
SCHEMBL5564099 0.82 CARM1 (0.50) CHRNA7
SCHEMBL5563315 0.82 CHRM4 (0.41) CHRNA7
SCHEMBL5563458 0.81 CARM1 (0.52) CHRNA7DRD4

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 CHRNA7 3330/4885HTR2A 2477/4885CCR3 671/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 CHRNA7 3349/4885HTR2A 2171/4885CCR3 975/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 CHRNA7 3349/4885HTR2A 2171/4885CCR3 975/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 CHRNA7 3349/4885HTR2A 2171/4885CCR3 975/4885

“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.