SCHEMBL803440

SCHEMBL803440

CN(C(=O)OC(C)(C)C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.50
AAK1 Q2M2I8 1/20 0.46
F10 P00742 3/20 0.46
PDE10A Q9Y233 1/20 0.46
GPR119 Q8TDV5 9/20 0.45
HRH3 Q9Y5N1 2/20 0.43
PIK3CD O00329 1/20 0.42
HSD11B1 P28845 1/20 0.41
BUB1 O43683 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
SCHEMBL803327 0.93 KDM4D (0.53) KDM4DAAK1F10PDE10AGPR119
SCHEMBL786338 0.86 GPR119 (0.45) KDM4DAAK1F10PDE10AGPR119
SCHEMBL5543855 0.86 NOTUM (0.49) AAK1GPR119
SCHEMBL31142600 0.86 GPR119 (0.47) KDM4DAAK1PDE10AGPR119HSD11B1
SCHEMBL3967268 0.85 GPR119 (0.43) KDM4DF10GPR119HRH3
SCHEMBL5536857 0.85 NPY5R (0.52) F10PDE10AGPR119
SCHEMBL594199 0.85 GPR119 (0.46) KDM4DAAK1PDE10AGPR119PIK3CD
SCHEMBL28155287 0.85 NPY5R (0.52) KDM4DAAK1PDE10AGPR119PIK3CD
SCHEMBL20046230 0.84 USP2 (0.55) PDE10AGPR119HSD11B1
SCHEMBL803945 0.83 PDE10A (0.44) KDM4DAAK1F10PDE10AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 KDM4D 1153/4885AAK1 1960/4885F10 524/4885

“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.