SCHEMBL75469

SCHEMBL75469

CC(C)C1CN(c2ccccc2C(F)(F)F)C(=O)N1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
L3MBTL1 Q9Y468 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 1/20 0.37
RBP4 P02753 2/20 0.36
C5AR1 P21730 5/20 0.36
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD11B1 P28845 1/20 0.35
NOTUM Q6P988 1/20 0.34
TTR P02766 1/20 0.34

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
SCHEMBL75463 0.80 L3MBTL1 (0.39) L3MBTL1TDP1ALDH1A1RBP4KMT2A
SCHEMBL27782006 0.70 SCN9A (0.46) HTR2AHTR2CHTR2BL3MBTL1TDP1
SCHEMBL75045 0.66 KMT2A (0.39) HTR2AHTR2CHTR2BL3MBTL1TDP1
SCHEMBL16915007 0.65 SCN9A (0.46) L3MBTL1TDP1ALDH1A1KMT2ACYP3A4
SCHEMBL74801 0.65 ACACB (0.41) HTR2CALDH1A1
SCHEMBL27782005 0.65 L3MBTL1 (0.33) L3MBTL1TDP1C5AR1KMT2ACYP3A4
SCHEMBL76003 0.65 L3MBTL1 (0.39) L3MBTL1TDP1ALDH1A1C5AR1
SCHEMBL27306698 0.64 HSD11B1 (0.47) RBP4C5AR1KMT2AHSD11B1NOTUM
SCHEMBL76732 0.64 L3MBTL1 (0.43) L3MBTL1TDP1CYP3A4HSD11B1NOTUM
Hydrochloric Acid SCHEMBL29221238 0.64 OPRM1 (0.32)

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 8 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
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 CN claimed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
CN-101553474-B Imidazolidinone and imidazolidinone derivatives as 11b-HSD1 inhibitors for diabetes HOFFMANN LA ROCHE 2013-02-27 CN 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
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
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 CN 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 HTR2A 3246/4885HTR2C 1526/4885HTR2B 1239/4885

“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.