SCHEMBL785732

SCHEMBL785732

CN(C(=O)O)C1CCN(c2ccncn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.52
TAF1 P21675 1/20 0.49
CECR2 Q9BXF3 1/20 0.49
BRD9 Q9H8M2 1/20 0.49
RIPK1 Q13546 1/20 0.47
LSS P48449 1/20 0.43
SORD Q00796 1/20 0.43
CYP2D6 P10635 1/20 0.42
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
GRM1 Q13255 1/20 0.41
OPRD1 P41143 1/20 0.40
CYP46A1 Q9Y6A2 2/20 0.39
AKT1 P31749 1/20 0.39
CCR5 P51681 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL19658736 0.89 GPR119 (0.52) GPR119TAF1CECR2BRD9RIPK1
SCHEMBL19652109 0.86 GPR119 (0.55) GPR119TAF1CECR2BRD9RIPK1
SCHEMBL19652208 0.86 TAF1 (0.49) GPR119TAF1CECR2BRD9RIPK1
SCHEMBL803847 0.83 GPR119 (0.64) GPR119TAF1CECR2BRD9RIPK1
SCHEMBL784600 0.81 GPR119 (0.49) GPR119TAF1CECR2BRD9RIPK1
SCHEMBL785159 0.80 F10 (0.51) LSSCCR5
SCHEMBL27902619 0.80 ACACB (0.46) GPR119SORDOPRD1MAP4K4
SCHEMBL3650736 0.79 TRPV1 (0.46) SORDOPRD1JAK2
SCHEMBL6181710 0.79 RIPK1 (0.58) GPR119RIPK1LSSSORDCYP2D6
SCHEMBL27920434 0.78 ACACB (0.43) GPR119SORDOPRD1MAP4K4

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 4 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
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

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 698/4885TAF1 2144/4885CECR2 888/4885

“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.