SCHEMBL21385306

SCHEMBL21385306

O=C(O)N1CCC(c2cn(CC3CC3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.49
CNR2 P34972 2/20 0.49
KCNH2 Q12809 4/20 0.42
HRH2 P25021 1/20 0.42
ICMT O60725 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL23211952 0.91 CNR1 (0.48) CNR1CNR2KCNH2HRH2PTGDR2
SCHEMBL23211887 0.86 KCNH2 (0.44) CNR1CNR2KCNH2HRH2PTGDR2
SCHEMBL23212041 0.84 CNR1 (0.47) CNR1CNR2
SCHEMBL30567980 0.84 CNR1 (0.47) CNR1CNR2
SCHEMBL23212047 0.81 RORC (0.50) KCNH2
SCHEMBL21382343 0.80 KCNH2 (0.52) CNR1CNR2KCNH2PTGDR2OPRK1
SCHEMBL21385840 0.80 KCNH2 (0.57) CNR1CNR2KCNH2ICMTPTGDR2
Acetic Acid SCHEMBL21382131 0.79 CNR1 (0.47) CNR1CNR2KCNH2ICMTPTGDR2
SCHEMBL30330159 0.78 CNR1 (0.47) CNR1CNR2KCNH2ICMTPTGDR2
SCHEMBL25057291 0.78 CNR1 (0.43) CNR1CNR2KCNH2HRH2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
EP-3768684-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-01-27 EP 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 (2 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 CNR1 2173/4885CNR2 2773/4885KCNH2 2806/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC CNR1 2173/4885CNR2 2773/4885KCNH2 2806/4885

“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.