SCHEMBL75797

SCHEMBL75797

COc1ccccc1-n1cc(CC(C)C)n(CC2CC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GRM2 Q14416 2/20 0.36
ICMT O60725 1/20 0.36
POLB P06746 1/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MGLL Q99685 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR1 P25103 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
SCHEMBL75873 0.87 SCN9A (0.37) C5AR1
SCHEMBL76308 0.67 GAA (0.53) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL13648739 0.63 DRD2 (0.65) DRD2HTR2AHTR2C
Ammonia Solution, Strong SCHEMBL2320933 0.62 DRD2 (0.64) DRD2HTR2AHTR2C
SCHEMBL16844190 0.60 P2RX7 (0.41) ALDH1A1POLBKDM4EMGLLKMT2A
SCHEMBL4087939 0.59 MGLL (0.41) HTTGAAALDH1A1POLBKDM4E
SCHEMBL19327311 0.59 ATM (0.56) ALDH1A1POLBDRD2HTR2AHTR2C
SCHEMBL2680469 0.59 CYP1A2 (0.54) LMNAGAAALDH1A1POLBMEN1
SCHEMBL4915562 0.59 DRD2 (0.59) DRD2HTR2AHTR2C
SCHEMBL22552364 0.59 DHODH (0.50) LMNATP53SMN1; SMN2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
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
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-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US 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 (1 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 USP2 3723/4885LMNA 3154/4885TP53 4677/4885

“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.