Sugi Predict

Sugi Predict / Compounds / SCHEMBL537492

SCHEMBL537492

SCHEMBL537492

CCOC(=O)CCCNCc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.62
▸ CHRM2 P08172 1/20 0.59
▸ LTA4H P09960 5/20 0.56
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ GLA P06280 1/20 0.51
▸ SCN8A Q9UQD0 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ SLC2A1 P11166 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9832496 0.92 KDM4E (0.58) KDM4ECHRM2LTA4HKMT2AMEN1
Hydrochloric Acid SCHEMBL3508365 0.87 CHRM2 (0.64) KDM4ECHRM2KMT2AMEN1ATM
SCHEMBL20179984 0.86 LTA4H (0.52) KDM4ELTA4HKMT2ASCN8AALDH1A1
SCHEMBL11953341 0.84 KDM4E (0.58) KDM4ECHRM2LTA4HKMT2AMEN1
SCHEMBL8851568 0.84 LTA4H (0.63) CHRM2LTA4HALDH1A1HDAC3HDAC1
Hydrochloric Acid SCHEMBL3509247 0.83 CHRM2 (0.67) KDM4ECHRM2KMT2AMEN1ATM
SCHEMBL1251880 0.82 KDM4E (0.53) KDM4ECHRM2LTA4HKMT2AMEN1
SCHEMBL16296132 0.82 CHRM2 (0.66) KDM4ECHRM2KMT2AMEN1ATM
SCHEMBL27573257 0.82 L3MBTL1 (0.50) KDM4ELTA4HL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3507421 0.82 CHRM2 (0.57) KDM4ECHRM2KMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110267963-B MAGL inhibitors H.隆德贝克有限公司 2022-04-01 — — CN disclosed
EP-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 — — EP disclosed
CN-110267963-A MAGL inhibitor 灵北拉荷亚研究中心公司 2019-09-20 — — CN disclosed
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
US-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-01-17 — — US 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
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
US-9873671-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-01-23 — — US disclosed
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-01-19 — — US disclosed
WO-2015109130-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. (US) 2015-07-23 — — WO disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 — — US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 — — US disclosed
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 — — EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 — — WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 — — US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 — — 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 (6 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 KDM4E 984/4885CHRM2 2806/4885LTA4H 2276/4885
US-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 KDM4E 2501/4885CHRM2 4416/4885LTA4H 1151/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 KDM4E 2501/4885CHRM2 4416/4885LTA4H 1151/4885
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 KDM4E 2501/4885CHRM2 4416/4885LTA4H 1151/4885
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 KDM4E 2749/4885CHRM2 4809/4885LTA4H 2935/4885
US-10093635-B2 MAGL inhibitors MAG, MAGI3, MGLL KDM4E 984/4885CHRM2 2806/4885LTA4H 2276/4885

“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.