SCHEMBL17318779

SCHEMBL17318779

O=C(O)N1CCC2(CC1)CN(S(=O)(=O)c1ccccc1)CCO2

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.68
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 2/20 0.50
CYP2D6 P10635 2/20 0.48
HCRTR2 O43614 2/20 0.46
HCRTR1 O43613 1/20 0.46
CYP3A4 P08684 3/20 0.45
USP2 O75604 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 1/20 0.45
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL18446300 0.89 MGLL (0.70) MGLLALDH1A1KMT2AMEN1MAPK1
SCHEMBL22394184 0.87 MGLL (0.57) MGLLALDH1A1KMT2AMEN1CYP2D6
SCHEMBL22394200 0.86 MGLL (0.53) MGLLALDH1A1KMT2AMEN1MAPK1
SCHEMBL17328229 0.84 MGLL (0.70) MGLLALDH1A1KMT2AMEN1MAPK1
SCHEMBL22394190 0.83 MGLL (0.56) MGLLALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL20397162 0.82 MGLL (0.55) MGLLALDH1A1KMT2AMEN1MAPK1
SCHEMBL20397182 0.81 MGLL (1.00) MGLL
SCHEMBL22394183 0.81 MGLL (0.84) MGLLALDH1A1KMT2AMEN1MAPK1
SCHEMBL18422850 0.78 MGLL (0.79) MGLL
SCHEMBL18418152 0.78 MGLL (0.79) MGLL

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 6 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 claimed
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 claimed
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2018-07-26 US disclosed
WO-2018134698-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 WO disclosed
EP-3149005-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2017-04-05 EP disclosed
WO-2015185208-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-12-10 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-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS MAG, MAGI3, APC MGLL 16/4885ALDH1A1 408/4885KMT2A 3493/4885

“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.