SCHEMBL20136923

SCHEMBL20136923

C#CC(C)(C)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.40
PKM P14618 3/20 0.39
MMP8 P22894 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL31033270 0.80 MEN1 (0.41) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL993104 0.79 ALDH1A1 (0.47) ALDH1A1LMNACYP1A2TSHR
SCHEMBL7065729 0.79 MEN1 (0.44) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL535883 0.77 MEN1 (0.52) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL16767838 0.77 PKM (0.43) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL11304468 0.76 MEN1 (0.41) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL1466385 0.75
SCHEMBL19906125 0.75 PKM (0.39) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL9748657 0.74 MMP8 (0.44) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL1313060 0.74 CYP4F2 (0.47) CYP4F2CYP4A11MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032034-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2023-05-02 CN disclosed
CN-110267963-B MAGL inhibitors H.隆德贝克有限公司 2022-04-01 CN disclosed
EP-3675848-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2022-03-23 EP disclosed
US-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 US disclosed
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-15 US disclosed
EP-3675848-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME Lundbeck La Jolla Research Center, Inc. (US) 2020-07-08 EP disclosed
CN-111032034-A Spiro compounds and methods of making and using the same 隆德贝克拉荷亚研究中心有限公司 2020-04-17 CN disclosed
EP-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
WO-2019046330-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
US-10093635-B2 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 US disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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 (4 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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL CYP4F2 3841/4885CYP4A11 4418/4885MEN1 2056/4885
US-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 CYP4F2 1444/4885CYP4A11 542/4885MEN1 1235/4885
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 CYP4F2 2356/4885CYP4A11 1089/4885MEN1 2363/4885
US-10093635-B2 MAGL inhibitors MAG, MAGI3, MGLL CYP4F2 3841/4885CYP4A11 4418/4885MEN1 2056/4885

“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.