SCHEMBL18480992

SCHEMBL18480992

C/C=C/[C@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 10/20 0.41
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
EPHX1 P07099 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL30864016 0.81 USP2 (0.44) USP2SMN1; SMN2MGLLRECQLHPGD
SCHEMBL20411385 0.80 USP2 (0.46) USP2SMN1; SMN2MGLLRECQLHPGD
SCHEMBL20411386 0.80 USP2 (0.46) USP2SMN1; SMN2MGLLRECQLHPGD
SCHEMBL16419553 0.80 USP2 (0.46) USP2SMN1; SMN2MGLLRECQLHPGD
SCHEMBL18481140 0.80 USP2 (0.46) USP2SMN1; SMN2MGLLRECQLHPGD
SCHEMBL897951 0.80 USP2 (0.46) USP2SMN1; SMN2MGLLRECQLHPGD
SCHEMBL30970058 0.79 USP2 (0.45) USP2SMN1; SMN2MGLLRECQLHPGD
SCHEMBL18418154 0.79 USP2 (0.45) USP2SMN1; SMN2MGLLRECQLHPGD
SCHEMBL2428569 0.79 USP2 (0.45) USP2SMN1; SMN2MGLLRECQLHPGD
SCHEMBL18418308 0.79 USP2 (0.45) USP2SMN1; SMN2MGLLRECQLHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328849-B9 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER (US) 2021-01-06 EP disclosed
EP-3328849-B1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER (US) 2020-09-09 EP disclosed
WO-2017021805-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2017-02-09 WO disclosed