SCHEMBL581334

SCHEMBL581334

CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC)[C@H](CCc2ccc(F)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.38
HTR2A P28223 3/20 0.38
GRM2 Q14416 2/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CHRM1 P11229 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL3085356 1.00 CACNA1G (0.38) CACNA1GHTR2AGRM2ALDH1A1KDM4E
SCHEMBL581333 1.00 CACNA1G (0.38) CACNA1GHTR2AGRM2ALDH1A1KDM4E
SCHEMBL586937 0.96 FFAR4 (0.37) CACNA1GHTR2AGRM2ALDH1A1KDM4E
SCHEMBL586938 0.96 FFAR4 (0.37) CACNA1GHTR2AGRM2ALDH1A1KDM4E
SCHEMBL3073261 0.90 PKM (0.42) ALDH1A1KDM4ENPC1MAPTKMT2A
SCHEMBL3080016 0.90 PKM (0.42) ALDH1A1KDM4ENPC1MAPTKMT2A
SCHEMBL581685 0.90 PKM (0.42) ALDH1A1KDM4ENPC1MAPTKMT2A
SCHEMBL3075222 0.90 PPARG (0.40) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL582086 0.90 PPARG (0.40) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL3075705 0.90 PPARG (0.40) ALDH1A1KDM4ENPC1GAAMAPT

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 CACNA1G 2378/4885HTR2A 1114/4885GRM2 1234/4885

“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.