SCHEMBL17328229

SCHEMBL17328229

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

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.70
NAMPT P43490 2/20 0.57
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RORC P51449 1/20 0.46
TGM2 P21980 7/20 0.45
F13A1 P00488 5/20 0.45
TGM1 P22735 2/20 0.45
GPR119 Q8TDV5 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL18418201 0.90 MGLL (0.72) MGLLNAMPTRORCTGM2F13A1
SCHEMBL17318779 0.84 MGLL (0.68) MGLLALDH1A1MEN1MAPK1KMT2A
SCHEMBL20397182 0.82 MGLL (1.00) MGLL
SCHEMBL22394183 0.82 MGLL (0.84) MGLLNAMPTALDH1A1MEN1MAPK1
SCHEMBL25370088 0.81 MGLL (0.54) MGLLNAMPTALDH1A1RORCTGM2
SCHEMBL20025085 0.80 GPR119 (0.55) MGLLALDH1A1MEN1MAPK1KMT2A
SCHEMBL18418152 0.79 MGLL (0.79) MGLLNAMPT
SCHEMBL18422850 0.79 MGLL (0.79) MGLLNAMPT
SCHEMBL17328213 0.79 CHRM2 (0.56) MGLLMEN1KMT2AGPR119
SCHEMBL2252120 0.79 TGM2 (0.63) ALDH1A1KMT2ATGM2F13A1TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3571202-B1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2021-06-30 EP disclosed
EP-3571202-B1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2021-06-30 EP disclosed
US-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors PFIZER INC. (US) 2020-12-08 US disclosed
US-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors PFIZER INC. (US) 2020-12-08 US disclosed
US-20190292203-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2019-09-26 US disclosed
US-20190292203-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2019-09-26 US disclosed
US-10065971-B2 Amide derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS S.A. (ES) 2018-09-04 US disclosed
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2018-07-26 US disclosed
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2018-07-26 US disclosed
EP-3149005-B1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE LABOR DR (ES) 2018-04-18 EP disclosed
EP-3149005-B1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE LABOR DR (ES) 2018-04-18 EP disclosed
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-07-13 US disclosed
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-07-13 US disclosed
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-07-13 US 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 (5 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-20190292203-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS MAG, MAGI3, APC MGLL 16/4885NAMPT 852/4885ALDH1A1 408/4885
US-10065971-B2 Amide derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain OPRD1, SIGMAR1, OPRM1 MGLL 3651/4885NAMPT 3307/4885ALDH1A1 1633/4885
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 MGLL 3651/4885NAMPT 3307/4885ALDH1A1 1633/4885
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS MAG, MAGI3, APC MGLL 16/4885NAMPT 852/4885ALDH1A1 408/4885
US-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors MAG, MAGI3, APC MGLL 16/4885NAMPT 852/4885ALDH1A1 408/4885

“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.