SCHEMBL3282116

SCHEMBL3282116

NC(Cc1ccccc1F)c1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.66
DPP8 Q6V1X1 1/20 0.56
TAAR1 Q96RJ0 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
IDO1 P14902 2/20 0.39
RAB9A P51151 1/20 0.39
CDC7 O00311 1/20 0.38
PLK4 O00444 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
SCHEMBL3281177 0.85 DPP4 (0.47) DPP4DPP8TAAR1GRIN2DGRIN3B
SCHEMBL3281088 0.82 KCNA5 (0.47) DPP4DPP8SLC6A2SLC6A4SLC6A3
SCHEMBL1467599 0.75 TAAR1 (0.52) DPP4TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL9586712 0.74 DPP4 (0.38) DPP4SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL20161327 0.74 NPC1 (0.38) DPP4DPP8TAAR1SLC6A2SLC6A4
SCHEMBL8867023 0.74 SLC6A2 (0.66) DPP4TAAR1GRIN2DGRIN3BGRIN1
SCHEMBL12706272 0.74 TAAR1 (0.47) DPP4TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4749345 0.74 DPP4 (0.42) DPP4TAAR1GRIN2DGRIN3BGRIN1
Bromide SCHEMBL6906999 0.74 TAAR1 (0.50) DPP4TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3674139 0.73 TAAR1 (0.54) DPP4TAAR1SLC6A2SLC6A4SLC6A3

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
EP-2018364-B1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN INC (US) 2013-08-21 EP disclosed
US-7709507-B2 Therapeutic fluoroethyl ureas ALLERGAN, INC. (US) 2010-05-04 US disclosed
US-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. 2007-11-22 US disclosed
CN-86103621-A The method of the sulphonamide of preparation agriculturally useful 1986-12-10 CN 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-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS SLC14A1, MAPT, UTS2R DPP4 2022/4885DPP8 2432/4885TAAR1 2600/4885

“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.