SCHEMBL76176

SCHEMBL76176

COc1ccc(N2CC(C(C)C)N(C3CC3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ESR1 P03372 1/20 0.38
NR4A1 P22736 1/20 0.38
APEX1 P27695 1/20 0.38
PTPN7 P35236 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
MCL1 Q07820 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL12767973 0.69 MAPT (0.55) LMNASMN1; SMN2MAPTTP53ATM
SCHEMBL9891754 0.69 POLB (0.50) LMNAPOLBTDP1
SCHEMBL7799214 0.67 POLB (0.47) LMNASMN1; SMN2RAB9AMAPTPOLB
Hydrochloric Acid SCHEMBL29221238 0.66 OPRM1 (0.32) OPRM1
SCHEMBL14140969 0.65 POLB (0.53) LMNANPC1RAB9APKMMAPT
SCHEMBL14140972 0.65 POLB (0.53) LMNANPC1RAB9APKMMAPT
SCHEMBL27804682 0.65 POLB (0.49) LMNASMN1; SMN2NPC1RAB9APKM
SCHEMBL18937412 0.65 NOX4 (0.46) LMNASMN1; SMN2NPC1RAB9APKM
SCHEMBL28950554 0.64 POLB (0.51) LMNANPC1RAB9APKMMAPT
SCHEMBL28439668 0.64 POLB (0.51) LMNASMN1; SMN2NPC1RAB9APKM

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 LMNA 3154/4885SMN1; SMN2 1998/4885NPC1 356/4885

“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.