SCHEMBL1968214

SCHEMBL1968214

N#Cc1ccc(N2CCC(F)(F)CC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
DPP4 P27487 2/20 0.43
HSD11B1 P28845 3/20 0.42
TRPV4 Q9HBA0 1/20 0.41
AOC3 Q16853 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
PREP P48147 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
ADRB2 P07550 1/20 0.39
LRRK2 Q5S007 1/20 0.38
MAP3K12 Q12852 2/20 0.38
SLC6A9 P48067 1/20 0.38
KCNH2 Q12809 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL3532873 0.85 NOTUM (0.48) DPP4HSD11B1TRPV4AOC3CCNA2
SCHEMBL250177 0.84 NOTUM (0.47) DPP4HSD11B1TRPV4AOC3CCNA2
SCHEMBL20830204 0.82 DRD2 (0.49) DPP4HSD11B1TRPV4AOC3CCNA2
SCHEMBL250297 0.81 CCNA2 (0.56) PDE3BPDE3ADPP4HSD11B1TRPV4
SCHEMBL249912 0.81 NOTUM (0.51) PDE3BPDE3ADPP4HSD11B1TRPV4
SCHEMBL1963730 0.81 DPP4 (0.56) PDE3BPDE3ADPP4HSD11B1TRPV4
SCHEMBL249165 0.81 PDE3B (0.43) PDE3BPDE3AAOC3LRRK2SLC6A9
SCHEMBL249900 0.80 DPP4 (0.45) PDE3BPDE3ADPP4HSD11B1TRPV4
SCHEMBL23850722 0.79 LRRK2 (0.41) LRRK2MAP3K12SLC6A9KCNH2IRAK4
SCHEMBL31587963 0.79 LRRK2 (0.41) LRRK2MAP3K12SLC6A9KCNH2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 PDE3B 214/4885PDE3A 220/4885DPP4 3263/4885

“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.