SCHEMBL786080

SCHEMBL786080

CN(C)C(=O)c1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
PIK3CD O00329 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
F10 P00742 4/20 0.39
HSD11B1 P28845 1/20 0.39
F2 P00734 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
GPR119 Q8TDV5 9/20 0.38
USP30 Q70CQ3 2/20 0.36

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
SCHEMBL803607 0.82 GPR119 (0.45) PDE10AAAK1PIK3CDKDM4DF10
SCHEMBL803440 0.82 KDM4D (0.50) PDE10AAAK1PIK3CDKDM4DF10
SCHEMBL803685 0.81 SIGMAR1 (0.45) F10
SCHEMBL786338 0.79 GPR119 (0.45) PDE10AAAK1PIK3CDKDM4DF10
SCHEMBL24872991 0.77 GPR119 (0.48) PDE10AAAK1PIK3CDKDM4DHSD11B1
SCHEMBL30888812 0.77 GPR119 (0.48) PDE10AAAK1PIK3CDKDM4DHSD11B1
SCHEMBL803761 0.76 F10 (0.46) PDE10AAAK1PIK3CDKDM4DF10
SCHEMBL803945 0.76 PDE10A (0.44) PDE10AAAK1PIK3CDKDM4DF10
SCHEMBL31142600 0.76 GPR119 (0.47) PDE10AAAK1KDM4DHSD11B1GPR119
SCHEMBL19701819 0.76 NPY5R (0.55) PDE10AAAK1PIK3CDKDM4DHSD11B1

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 7 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
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 589/4885AAK1 1960/4885PIK3CD 4174/4885

“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.