SCHEMBL580896

SCHEMBL580896

COC(=O)C1CCNC(Cc2ccc(F)cc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
PLG P00747 2/20 0.39
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAOB P27338 1/20 0.36
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX2 P34913 1/20 0.35
HTR6 P50406 2/20 0.35

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
SCHEMBL580853 0.91 DPP4 (0.48) ALDH1A1TDP1DPP4DPP8DPP9
SCHEMBL581898 0.87 PLG (0.52) ALDH1A1DPP4DPP8DPP9DPP7
SCHEMBL580826 0.84 PLG (0.50) PLGSLC6A3SLC6A2SLC6A4
SCHEMBL581503 0.81 PLG (0.53) PLGSLC6A3SLC6A2SLC6A4
SCHEMBL580694 0.81 CYP3A4 (0.41) ALDH1A1TDP1PLGCYP3A4
SCHEMBL580821 0.80 PLG (0.38) DPP4DPP8DPP9DPP7PLG
SCHEMBL27965711 0.80 ALDH1A1 (0.40) ALDH1A1TDP1DPP4PLGSLC6A3
SCHEMBL581181 0.80 ALDH1A1 (0.42) ALDH1A1DPP4DPP8DPP9DPP7
SCHEMBL27965712 0.80 PLG (0.39) ALDH1A1TDP1PLGSLC6A3SLC6A2
Hydrochloric Acid SCHEMBL581112 0.78 HTR2A (0.36) DPP4DPP8DPP9DPP7PLG

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
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 ALDH1A1 2598/4885TDP1 3355/4885DPP4 754/4885

“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.