SCHEMBL17306129

SCHEMBL17306129

CC(C)c1ccc(C2CCN(CC(F)(F)F)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 6/20 0.49
TLR8 Q9NR97 6/20 0.49
TLR7 Q9NYK1 6/20 0.49
DRD2 P14416 4/20 0.45
HPGD P15428 1/20 0.41
SLC18A3 Q16572 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
PRCP P42785 2/20 0.39

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
SCHEMBL1477035 0.83 KDM1A (0.46) TLR9TLR8TLR7DRD2SLC18A3
SCHEMBL17308223 0.83 TLR9 (0.46) TLR9TLR8TLR7DRD2SLC18A3
SCHEMBL14923996 0.81 DRD2 (0.54) TLR9TLR8TLR7DRD2HPGD
SCHEMBL17320468 0.80 DRD2 (0.46) TLR9TLR8TLR7DRD2SLC18A3
SCHEMBL20004333 0.80 DRD2 (0.54) DRD2HPGDSLC18A3PRCP
SCHEMBL17306126 0.80 SLC18A3 (0.49) TLR9TLR8TLR7DRD2HPGD
SCHEMBL15168408 0.80 SLC18A3 (0.47) TLR9TLR8TLR7DRD2SLC18A3
SCHEMBL25042445 0.79 SLC18A3 (0.49) TLR9TLR8TLR7DRD2SLC18A3
SCHEMBL22537840 0.78 DRD2 (0.51) DRD2PRCP
SCHEMBL25240806 0.77 MEN1 (0.44) TLR9TLR8TLR7DRD2SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TLR9 3502/4885TLR8 3481/4885TLR7 3524/4885

“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.