SCHEMBL17665018

SCHEMBL17665018

CO[C@@H]1CCCN(C(=O)[C@H](C)O)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
PDE4B Q07343 1/20 0.39
VNN1 O95497 1/20 0.37
PDE9A O76083 1/20 0.36
PDE1B Q01064 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GRM5 P41594 1/20 0.35
BTK Q06187 3/20 0.35
SPR P35270 1/20 0.34
PSMB8 P28062 2/20 0.33
PSMB5 P28074 2/20 0.33
PSMA1 P25786 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMB4 P28070 1/20 0.33
PSMB10 P40306 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL21204487 1.00 DPP4 (0.46) DPP4DPP7PDE4BVNN1PDE9A
SCHEMBL17665019 1.00 DPP4 (0.46) DPP4DPP7PDE4BVNN1PDE9A
SCHEMBL17308204 0.90 PDE9A (0.40) DPP4DPP7PDE4BVNN1PDE9A
SCHEMBL16132288 0.90 PDE9A (0.40) DPP4DPP7PDE4BVNN1PDE9A
SCHEMBL17308198 0.90 PDE9A (0.40) DPP4DPP7PDE4BVNN1PDE9A
SCHEMBL12521657 0.90 PDE9A (0.40) DPP4DPP7PDE4BVNN1PDE9A
SCHEMBL12521649 0.90 PDE9A (0.40) DPP4DPP7PDE4BVNN1PDE9A
SCHEMBL17308197 0.90 PDE9A (0.40) DPP4DPP7PDE4BVNN1PDE9A
SCHEMBL17665147 0.87 DPP4 (0.49) DPP4DPP7PDE4BPDE9ANPC1
SCHEMBL17660711 0.85 DPP4 (0.38) DPP4DPP7PDE4BBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 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-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS DPP4 3256/4885DPP7 2228/4885PDE4B 3196/4885

“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.