SCHEMBL580899

SCHEMBL580899

COC(=O)C1CCNC(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CCR3 P51677 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMYD3 Q9H7B4 2/20 0.39
ABCB1 P08183 1/20 0.39
CPB1 P15086 1/20 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
SCHEMBL580826 0.87 PLG (0.50) PLGCCR3SLC6A2SLC6A4SLC6A3
SCHEMBL581121 0.87 SMN1; SMN2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL3315029 0.87 PLG (0.50) PLGALDH1A1MAPTHPGDNPSR1
SCHEMBL581503 0.86 PLG (0.53) PLGCCR3SLC6A2SLC6A4SLC6A3
SCHEMBL581990 0.84 CYP3A4 (0.43) PLGMAPT
SCHEMBL582065 0.84 SLC6A4 (0.42) PLGALDH1A1MAPTHPGDNPSR1
SCHEMBL581052 0.83 POLB (0.43) POLBALDH1A1SLC6A2SLC6A4SMYD3
SCHEMBL580821 0.83 PLG (0.38) PLGCCR3SLC6A2SLC6A4SLC6A3
SCHEMBL581898 0.82 PLG (0.52) PLGALDH1A1NPSR1SLC6A2SLC6A4
SCHEMBL581181 0.82 ALDH1A1 (0.42) PLGALDH1A1CCR3SLC6A2SLC6A4

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 PLG 4861/4885POLB 4067/4885ALDH1A1 2598/4885

“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.