Sugi Predict

Sugi Predict / Compounds / SCHEMBL892836

SCHEMBL892836

SCHEMBL892836

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ OPRL1 P41146 1/20 0.53
▸ CNR1 P21554 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CREBBP Q92793 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ SLC6A4 P31645 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ HTR1D P28221 3/20 0.47
▸ HTR1B P28222 3/20 0.47
▸ HTR1A P08908 2/20 0.47

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
SCHEMBL30567991 1.00 OPRM1 (0.53) OPRM1OPRK1OPRL1CNR1KDM4E
Hydrochloric Acid SCHEMBL1703941 0.99 OPRM1 (0.52) OPRM1OPRK1OPRL1CNR1KDM4E
SCHEMBL4771971 0.91 AVPR1A (0.50) CNR1KDM4EBRD4ALDH1A1POLB
SCHEMBL8618496 0.88 CYP1A2 (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL12127418 0.87 KDM4E (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL6212815 0.87 HTR1D (0.62) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL4674153 0.87 HSD11B1 (0.60) OPRM1OPRK1OPRL1KDM4EBRD4
SCHEMBL21384720 0.86 KDM4E (0.47) OPRM1OPRK1OPRL1KDM4EBRD4
SCHEMBL28380406 0.86 MTNR1A (0.61) ALDH1A1MAPTSLC6A4HTR1AMEN1
SCHEMBL2263846 0.84 CCR2 (0.52) KDM4EBRD4ALDH1A1POLBCREBBP

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 — — CN 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-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 — — US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — 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
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — US disclosed
CN-111936503-A Oxazin monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2020-11-13 — — CN disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 — — EP disclosed
US-20030225063-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-12-04 — — US disclosed
US-20030225062-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-12-04 — — US disclosed
US-6635633-B2 Substituted pyrazoles ORTHO-PHARMACEUTICAL, INC. 2003-10-21 — — US disclosed
US-6579896-B2 Immunology response; autoimmune disease ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-17 — — US disclosed
EP-1315492-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho McNeil Pharmaceutical, Inc. (US) 2003-06-04 — — EP disclosed
EP-1309592-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 — — EP disclosed
US-20020147189-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-10-10 — — US disclosed
US-20020040019-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 — — US disclosed
WO-2002020013-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 — — WO disclosed
WO-2002014317-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 — — 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 (8 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-20030225062-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRL1 4813/4885
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC OPRM1 860/4885OPRK1 3335/4885OPRL1 1118/4885
US-20020040019-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRL1 4813/4885
US-20030225063-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRL1 4813/4885
US-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY OPRM1 549/4885OPRK1 1592/4885OPRL1 1103/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC OPRM1 860/4885OPRK1 3335/4885OPRL1 1118/4885
US-20020147189-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 OPRM1 4605/4885OPRK1 3202/4885OPRL1 3936/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY OPRM1 549/4885OPRK1 1592/4885OPRL1 1103/4885

“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.