SCHEMBL786338

SCHEMBL786338

CN(C(=O)OC(C)(C)C)C1CCN(c2ccnnc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.45
AAK1 Q2M2I8 1/20 0.44
PDE10A Q9Y233 1/20 0.44
HSD11B1 P28845 1/20 0.42
KDM4D Q6B0I6 1/20 0.41
PIK3CD O00329 1/20 0.41
NPY5R Q15761 1/20 0.39
F10 P00742 1/20 0.38
SPR P35270 3/20 0.37

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
SCHEMBL803440 0.86 KDM4D (0.50) GPR119AAK1PDE10AHSD11B1KDM4D
SCHEMBL803327 0.82 KDM4D (0.53) GPR119AAK1PDE10AHSD11B1KDM4D
SCHEMBL20037702 0.81 AAK1 (0.43) GPR119AAK1PDE10AHSD11B1KDM4D
SCHEMBL30700827 0.81 AAK1 (0.43) GPR119AAK1PDE10AHSD11B1KDM4D
SCHEMBL31142600 0.80 GPR119 (0.47) GPR119AAK1PDE10AHSD11B1KDM4D
SCHEMBL5536857 0.79 NPY5R (0.52) GPR119PDE10ANPY5RF10
SCHEMBL594199 0.79 GPR119 (0.46) GPR119AAK1PDE10AHSD11B1KDM4D
SCHEMBL28155287 0.79 NPY5R (0.52) GPR119AAK1PDE10AHSD11B1KDM4D
SCHEMBL803504 0.79 SIGMAR1 (0.49)
SCHEMBL786080 0.79 PDE10A (0.43) GPR119AAK1PDE10AHSD11B1KDM4D

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-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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO 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
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 GPR119 698/4885AAK1 1960/4885PDE10A 589/4885

“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.