SCHEMBL4769253

SCHEMBL4769253

O=C(O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.63
OPRK1 P41145 1/20 0.63
OPRL1 P41146 1/20 0.63
KDM4E B2RXH2 1/20 0.53
BRD4 O60885 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
CREBBP Q92793 1/20 0.53
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
THPO P40225 1/20 0.51
SLC6A4 P31645 1/20 0.51
AVPR1A P37288 1/20 0.51
HTR1D P28221 4/20 0.50
HTR1B P28222 4/20 0.50

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
SCHEMBL27573221 0.90 AVPR1A (0.60) OPRM1OPRK1OPRL1KDM4EBRD4
SCHEMBL11427197 0.89 KDM4E (0.69) OPRM1OPRK1OPRL1KDM4EBRD4
SCHEMBL1121919 0.85 HTR1D (0.68) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5340537 0.85 HSD11B1 (0.68) OPRM1OPRK1OPRL1KDM4EBRD4
SCHEMBL30567991 0.83 OPRM1 (0.53) OPRM1OPRK1OPRL1KDM4EBRD4
SCHEMBL892836 0.83 OPRM1 (0.53) OPRM1OPRK1OPRL1KDM4EBRD4
Hydrochloric Acid SCHEMBL1703941 0.82 OPRM1 (0.52) OPRM1OPRK1OPRL1KDM4EBRD4
SCHEMBL6357136 0.81 SLC6A4 (0.58) SLC6A4HTR1BHTR1AHTR6
SCHEMBL5341311 0.81 MTNR1A (0.67) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL4674422 0.81 HTR1D (0.71) OPRM1OPRK1OPRL1MAPTBLM

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 6 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
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 EP 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
EP-1315492-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2008-07-30 EP 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 OPRM1 860/4885OPRK1 3335/4885OPRL1 1118/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC OPRM1 860/4885OPRK1 3335/4885OPRL1 1118/4885

“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.