SCHEMBL786297

SCHEMBL786297

CN(C(=O)OC(C)(C)C)C1CCN(c2ccnc(C(C)(C)C)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.50
GPR119 Q8TDV5 6/20 0.48
AAK1 Q2M2I8 1/20 0.45
PIK3CD O00329 1/20 0.42
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
KDM4D Q6B0I6 1/20 0.40
ACACB O00763 2/20 0.38
HSD11B1 P28845 1/20 0.38
RET P07949 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 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
SCHEMBL786429 0.88 PDE10A (0.53) PDE10AGPR119AAK1PIK3CDHRH4
SCHEMBL18234749 0.88 PDE10A (0.51) PDE10AGPR119AAK1PIK3CDHRH4
SCHEMBL16854399 0.87 PDE10A (0.50) PDE10AGPR119AAK1PIK3CDHRH4
SCHEMBL16855351 0.86 PDE10A (0.51) PDE10AGPR119AAK1PIK3CDHRH4
SCHEMBL786249 0.86 PDE10A (0.51) PDE10AGPR119AAK1PIK3CDHRH4
SCHEMBL16855357 0.85 PDE10A (0.49) PDE10AGPR119AAK1PIK3CDHRH4
SCHEMBL785317 0.85 PDE10A (0.49) PDE10AGPR119AAK1PIK3CDHRH4
SCHEMBL784979 0.84 PDE10A (0.48) PDE10AGPR119AAK1PIK3CDHRH4
SCHEMBL803974 0.83 SIGMAR1 (0.45) PDE10AHRH4HRH3
SCHEMBL803847 0.82 GPR119 (0.64) PDE10AGPR119AAK1PIK3CDKDM4D

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 8 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
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 PDE10A 589/4885GPR119 698/4885AAK1 1960/4885

“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.