SCHEMBL76967

SCHEMBL76967

CC(C)(C)OC(=O)C1CCCC1(N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 4/20 0.38
ARG2 P78540 2/20 0.38
GRM2 Q14416 5/20 0.34
GRM3 Q14832 5/20 0.34
GRM6 O15303 4/20 0.34
GRM8 O00222 2/20 0.34
MAPK1 P28482 1/20 0.33
BTK Q06187 1/20 0.33
GRM4 Q14833 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
GRM5 P41594 1/20 0.33
MTOR P42345 1/20 0.33
GRM1 Q13255 1/20 0.33
PLCB1 Q9NQ66 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A4 P31645 1/20 0.32

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
SCHEMBL30746735 1.00 ARG1 (0.38) ARG1ARG2GRM2GRM3GRM6
SCHEMBL2524446 0.95 ARG1 (0.34) ARG1ARG2GRM2GRM3GRM6
SCHEMBL9729224 0.94 ARG1 (0.33) ARG1ARG2GRM2GRM3GRM6
SCHEMBL2730057 0.90 GRM2 (0.40) GRM2GRM3GRM6GRM8MAPK1
SCHEMBL190124 0.81 GRM2 (0.43) GRM2GRM3GRM6GRM8MAPK1
SCHEMBL30086083 0.81 GRM2 (0.43) GRM2GRM3GRM6GRM8MAPK1
SCHEMBL16061017 0.79 BTK (0.38) ARG1ARG2GRM2GRM3GRM6
SCHEMBL28195125 0.78 MAPK1 (0.31) MAPK1BTK
SCHEMBL29707789 0.78 MAPK1 (0.34) MAPK1BTKHRH3
SCHEMBL2063878 0.77 GAA (0.35) MAPK1TSHRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876507-A Trisubstituted olefin tertiary phosphine compound and preparation method thereof 湖北大学 2021-06-01 CN claimed
EP-3833672-B1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE SRL (IT) 2024-09-18 EP disclosed
CN-113272309-B Tricyclic inhibitors of hepatitis b virus 圣拉斐尔医院有限公司 2024-02-23 CN disclosed
WO-2024010810-A2 FC CONJUGATES INCLUDING AN INHIBITOR OF CD73 AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
US-20230076319-A1 INHIBITORS OF HEPATITIS B VIRUS ANTIOS THERAPEUTICS INC (US) 2023-03-09 US disclosed
US-11504382-B2 Tricyclic inhibitors of Hepatitis B virus Antios Therapeutics, Inc. (US) 2022-11-22 US disclosed
CN-112876507-B Trisubstituted olefin tertiary phosphine compound and preparation method thereof 湖北大学 2022-08-30 CN disclosed
US-20220110943-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2022-04-14 US disclosed
CN-113272309-A Tricyclic inhibitors of hepatitis B virus 圣拉斐尔医院有限公司 2021-08-17 CN disclosed
EP-3833672-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS Ospedale San Raffaele S.r.l. (IT) 2021-06-16 EP disclosed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
WO-2007099385-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR COMPOUNDS AND COMPOSITIONS GLENMARK PHARMACEUTICALS S.A. (US) 2007-09-07 WO disclosed
CN-1802375-A Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARM INC (US) 2006-07-12 CN disclosed
EP-0491943-A4 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RORER INT HOLDINGS (US) 1996-02-14 EP disclosed
US-5175146-A Improved potency; storage stability; nonhydrolyzing; osteoporosis; Paget's disease; hypocalcemic VICAL, INC. (US) 1992-12-29 US disclosed
US-5162336-A Disorders of gastrointestinal, central nervous and appetite regulatory systems RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-10 US disclosed
EP-0491943-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-01 EP disclosed
WO-1992000295-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-01-09 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 (4 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-11504382-B2 Tricyclic inhibitors of Hepatitis B virus HAVCR2, NR1H4, HCCS ARG1 2112/4885ARG2 1215/4885GRM2 3483/4885
US-20220110943-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS HAVCR2, NR1H4, HCCS ARG1 2112/4885ARG2 1215/4885GRM2 3483/4885
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HSD11B1, HSD17B1, HSD17B11 ARG1 498/4885ARG2 1527/4885GRM2 3040/4885
US-20230076319-A1 INHIBITORS OF HEPATITIS B VIRUS HAVCR2, HDGF, SLC10A1 ARG1 1233/4885ARG2 1611/4885GRM2 3931/4885

“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.