SCHEMBL803945

SCHEMBL803945

CN(C(=O)OC(C)(C)C)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
GPR119 Q8TDV5 5/20 0.43
F10 P00742 5/20 0.42
PRMT3 O60678 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
PIK3CD O00329 1/20 0.41
PHGDH O43175 1/20 0.39
CCKAR P32238 1/20 0.39
NPY5R Q15761 1/20 0.38
HSD11B1 P28845 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
F2 P00734 1/20 0.37
PLAT P00750 1/20 0.37
KLKB1 P03952 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
SCHEMBL803440 0.83 KDM4D (0.50) PDE10AKDM4DGPR119F10AAK1
SCHEMBL803705 0.83 F10 (0.43) F10PRMT3PHGDHCCKARNPY5R
SCHEMBL10274785 0.79 PHGDH (0.45) PHGDH
SCHEMBL10135616 0.79 LTA4H (0.47) PDE10AKDM4DPRMT3AAK1
SCHEMBL566615 0.79 KDM4D (0.44) PDE10AKDM4DF10AAK1HSD11B1
SCHEMBL566614 0.79 KDM4D (0.44) PDE10AKDM4DF10AAK1HSD11B1
SCHEMBL29632493 0.78 PDE10A (0.44) PDE10AKDM4DGPR119AAK1PIK3CD
SCHEMBL15771184 0.78 PDE10A (0.44) PDE10AKDM4DGPR119AAK1PIK3CD
SCHEMBL803496 0.78 GPR119 (0.37) GPR119F10PRMT3NPY5R
SCHEMBL786338 0.78 GPR119 (0.45) PDE10AKDM4DGPR119F10AAK1

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 PDE10A 589/4885KDM4D 1153/4885GPR119 698/4885

“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.