SCHEMBL21381973

SCHEMBL21381973

O=C(CCl)N[C@H]1CN(C(=O)O)CC[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
JAK2 O60674 1/20 0.33
MITF O75030 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
YAP1 P46937 1/20 0.31
TEAD4 Q15561 1/20 0.31
LMNA P02545 1/20 0.31
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30
MAPK3 P27361 1/20 0.30

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
SCHEMBL23150451 1.00 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2JAK2MITFMTNR1A
SCHEMBL23150450 1.00 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2JAK2MITFMTNR1A
SCHEMBL6022110 0.88 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2JAK2MITFMTNR1A
SCHEMBL1837664 0.85 SMN1; SMN2 (0.33) SMN1; SMN2JAK2MITFMTNR1AMTNR1B
SCHEMBL29068374 0.79 EPHX1 (0.44) ALDH1A1
SCHEMBL23150504 0.79 EPHX1 (0.44) ALDH1A1
SCHEMBL23150505 0.79 EPHX1 (0.44) ALDH1A1
SCHEMBL23150503 0.79 EPHX1 (0.44) ALDH1A1
SCHEMBL18605463 0.79 CKS1B (0.40) ALDH1A1MTNR1AMTNR1BCKS1BSKP1
SCHEMBL18605462 0.79 CKS1B (0.40) ALDH1A1MTNR1AMTNR1BCKS1BSKP1

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
EP-3837263-B1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN LA ROCHE (CH) 2024-07-03 EP disclosed
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-05-09 US disclosed
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-10-31 US disclosed
EP-3883936-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2023-07-12 EP disclosed
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-02-16 US disclosed
US-20210387999-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-12-16 US disclosed
EP-3883936-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-09-29 EP disclosed
US-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-09-09 US disclosed
EP-3837264-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 EP disclosed
EP-3837263-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 EP disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
US-20210094972-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
EP-3768684-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-01-27 EP disclosed
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 US disclosed
WO-2020035424-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 WO disclosed
WO-2020035425-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 WO disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 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 (9 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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC ALDH1A1 1432/4885SMN1; SMN2 3588/4885JAK2 3130/4885
US-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL ALDH1A1 1009/4885SMN1; SMN2 3383/4885JAK2 4069/4885
US-20210387999-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP4X1 ALDH1A1 492/4885SMN1; SMN2 3366/4885JAK2 1098/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL ALDH1A1 525/4885SMN1; SMN2 3927/4885JAK2 3999/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL ALDH1A1 651/4885SMN1; SMN2 3938/4885JAK2 4057/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC ALDH1A1 1432/4885SMN1; SMN2 3588/4885JAK2 3130/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL ALDH1A1 525/4885SMN1; SMN2 3927/4885JAK2 3999/4885
US-20210094972-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP1A1 ALDH1A1 103/4885SMN1; SMN2 2734/4885JAK2 936/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL ALDH1A1 525/4885SMN1; SMN2 3927/4885JAK2 3999/4885

“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.