SCHEMBL6300929

SCHEMBL6300929

c1ccc2c(CCCN3CCNCC3)coc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
HTR1A P08908 6/20 0.46
SLC6A4 P31645 3/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD2 P14416 2/20 0.41
KDM1A O60341 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL5568304 0.92 HTR1A (0.52) SIGMAR1HTR1ASLC6A4DRD2DRD4
SCHEMBL5345674 0.81 DRD2 (0.51) SIGMAR1SLC6A4DRD2KDM1A
SCHEMBL5569217 0.81 SLC6A4 (0.48) SIGMAR1HTR1ASLC6A4DRD2HTR1D
SCHEMBL5335268 0.79 DRD2 (0.52) SIGMAR1HTR1ASLC6A4DRD2DRD3
SCHEMBL5332520 0.77 DRD2 (0.53) SIGMAR1HTR1ASLC6A4CHRM2CHRM4
SCHEMBL5334230 0.76 DRD2 (0.52) SIGMAR1HTR1ASLC6A4CHRM2CHRM4
SCHEMBL18872185 0.75 HTR1A (0.53) SIGMAR1HTR1ASLC6A4DRD2DRD4
SCHEMBL9522258 0.75 SIGMAR1 (0.60) SIGMAR1HTR1ASLC6A4HTR1DHTR1B
SCHEMBL5563918 0.74 HTR1A (0.52) SIGMAR1HTR1ASLC6A4DRD2DRD4
SCHEMBL10635248 0.74 SIGMAR1 (0.52) SIGMAR1DRD2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SIGMAR1 177/4885HTR1A 1343/4885SLC6A4 3681/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 SIGMAR1 382/4885HTR1A 1186/4885SLC6A4 4053/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 SIGMAR1 382/4885HTR1A 1186/4885SLC6A4 4053/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 SIGMAR1 382/4885HTR1A 1186/4885SLC6A4 4053/4885

“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.