SCHEMBL803847

SCHEMBL803847

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.64
PDE10A Q9Y233 1/20 0.47
AAK1 Q2M2I8 1/20 0.46
TAF1 P21675 1/20 0.45
CECR2 Q9BXF3 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
PIK3CD O00329 1/20 0.42
RIPK1 Q13546 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
LSS P48449 1/20 0.39
HSD11B1 P28845 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
CYP2D6 P10635 1/20 0.38
DPP4 P27487 1/20 0.38
KCNH2 Q12809 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
SCHEMBL19652109 0.84 GPR119 (0.55) GPR119AAK1TAF1CECR2BRD9
SCHEMBL803360 0.83 GPR119 (0.60) GPR119PDE10ATAF1CECR2BRD9
SCHEMBL803440 0.83 KDM4D (0.50) GPR119PDE10AAAK1KDM4DPIK3CD
SCHEMBL786429 0.83 PDE10A (0.53) GPR119PDE10AAAK1KDM4DPIK3CD
SCHEMBL18234749 0.83 PDE10A (0.51) GPR119PDE10AAAK1KDM4DPIK3CD
SCHEMBL19658736 0.83 GPR119 (0.52) GPR119TAF1CECR2BRD9RIPK1
SCHEMBL785732 0.83 GPR119 (0.52) GPR119TAF1CECR2BRD9RIPK1
SCHEMBL16854399 0.82 PDE10A (0.50) GPR119PDE10AAAK1KDM4DPIK3CD
SCHEMBL786297 0.82 PDE10A (0.50) GPR119PDE10AAAK1KDM4DPIK3CD
SCHEMBL786249 0.81 PDE10A (0.51) GPR119PDE10AAAK1KDM4DPIK3CD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-3218376-A1 BROMODOMAIN INHIBITORS AND USES THEREOF Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 WO 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
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 (3 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 GPR119 988/4885PDE10A 1615/4885AAK1 2725/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 GPR119 988/4885PDE10A 1615/4885AAK1 2725/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 GPR119 698/4885PDE10A 589/4885AAK1 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.