SCHEMBL4129565

SCHEMBL4129565

CN1CCN(CCCNCCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.53
SIGMAR1 Q99720 3/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CACNA1H O95180 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
FGFR1 P11362 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 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
SCHEMBL13609474 0.91 DRD2 (0.60) DRD2SIGMAR1CACNA1HTDP1MEN1
SCHEMBL8254760 0.87 DRD2 (0.64) DRD2SIGMAR1CACNA1HTDP1MEN1
SCHEMBL18851206 0.86 DRD2 (0.56) DRD2SIGMAR1CACNA1HTDP1MEN1
SCHEMBL29263630 0.86 DRD2 (0.62) DRD2SIGMAR1MAOAMAOBTDP1
SCHEMBL13075277 0.85 DRD2 (0.56) DRD2SIGMAR1MAOAMAOBCACNA1H
SCHEMBL13202614 0.85 DRD2 (0.59) DRD2SIGMAR1CACNA1HTDP1MEN1
SCHEMBL5429289 0.84 DRD2 (0.57) DRD2SIGMAR1MAOAMAOBCACNA1H
SCHEMBL31376118 0.83 DRD2 (0.56) DRD2SIGMAR1MAOAMAOBCACNA1H
SCHEMBL9127008 0.82 DRD2 (0.60) DRD2SIGMAR1CACNA1HTDP1MEN1
SCHEMBL16708685 0.81 DRD2 (0.59) DRD2SIGMAR1CACNA1HTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 US disclosed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 EP disclosed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 WO 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 (1 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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS DRD2 1063/4885SIGMAR1 3068/4885MAOA 4421/4885

“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.