SCHEMBL75311

SCHEMBL75311

O=COC1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.37
HDAC4 P56524 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HSD11B1 P28845 3/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KDM1A O60341 1/20 0.35
EEF2K O00418 1/20 0.35

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
SCHEMBL2318965 0.92 HDAC4 (0.42) HDAC4SLC6A4SLC6A3HSD11B1
SCHEMBL1795 0.92 HSD11B1 (0.39) HSD17B10DRD2HDAC4SLC6A4SLC6A3
SCHEMBL694701 0.90 SLC6A4 (0.44) HDAC4SLC6A4SLC6A3HSD11B1
SCHEMBL16322010 0.81 CYP2A6 (0.35) HSD11B1MAOAMAOB
SCHEMBL5642733 0.79 OPRM1 (0.33)
SCHEMBL6583308 0.79 CYP2A6 (0.38) SLC6A4SLC6A3MAOAMAOB
SCHEMBL697114 0.79 MAOB (0.36) SLC6A4SLC6A3HSD11B1MAOAMAOB
SCHEMBL700240 0.79 SLC6A4 (0.42) SLC6A4SLC6A3
SCHEMBL348386 0.78 MEN1 (0.39) MAOAMAOB
SCHEMBL696139 0.77 SLC6A3 (0.42) SLC6A4SLC6A3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
US-8236789-B2 1-adamantyl azetidin-2-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-07 US disclosed
US-8129423-B2 1-Adamantan-2-yl-3-benzyl-1,3-dihydro-imidazol-2-one; 11beta-hydroxysteroid dehydrogenases (11beta-HSD) inhibitor; antidiabetic, hypotensive, hypoglycemic agent; resist hyperglycemia provoked by obesity or stress; HOFFMAN-LA ROCHE INC. (US) 2012-03-06 US disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
EP-2322505-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME Kowa Company, Ltd. (JP) 2011-05-18 EP disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 US disclosed
EP-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US 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
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 US disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 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 (3 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-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HSD11B1, HSD17B1, HSD17B11 HSD17B10 22/4885DRD2 2764/4885HDAC4 222/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R HSD17B10 1167/4885DRD2 251/4885HDAC4 1824/4885
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase TNF, MMP1, ADAMTS1 HSD17B10 552/4885DRD2 4781/4885HDAC4 360/4885

“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.