SCHEMBL17665148

SCHEMBL17665148

CO[C@H]1CCN(C(=O)C2CNCCN2)C[C@H]1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.33
DPP8 Q6V1X1 4/20 0.33
DPP7 Q9UHL4 3/20 0.33
CNR2 P34972 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRNB2 P17787 5/20 0.30
CHRNA3 P32297 5/20 0.30
CHRNA4 P43681 5/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30
DPP9 Q86TI2 1/20 0.30
CHRNB4 P30926 4/20 0.30
CHRNA7 P36544 4/20 0.30

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
SCHEMBL17665022 0.88 DPP4 (0.33) DPP4DPP8DPP7KCNH2CHRNB2
SCHEMBL17665163 0.84 DPP4 (0.46) DPP4DPP8DPP7DPP9
SCHEMBL17665190 0.84 DPP4 (0.46) DPP4DPP8DPP7DPP9
SCHEMBL21204574 0.84 DPP4 (0.46) DPP4DPP8DPP7DPP9
SCHEMBL17665137 0.84 DPP4 (0.46) DPP4DPP8DPP7DPP9
SCHEMBL17665188 0.83 DPP4 (0.42) DPP4DPP8DPP7DPP9
SCHEMBL17665181 0.83 DPP4 (0.42) DPP4DPP8DPP7DPP9
SCHEMBL21204312 0.82 NPC1 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL17665084 0.82 NPC1 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL17665212 0.82 NPC1 (0.32) DPP4DPP8DPP7CHRNB2CHRNA3

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 3256/4885DPP8 2354/4885DPP7 2228/4885

“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.