SCHEMBL74577

SCHEMBL74577

CC(C)c1cn(-c2ccccc2C(F)(F)F)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 5/20 0.46
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 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
SCHEMBL76459 0.80 HCAR1 (0.43) HCAR1MAPTKDM4EPOLBTDP1
SCHEMBL13934651 0.73 DDB1 (0.50) MAPTKDM4EALDH1A1MEN1LMNA
SCHEMBL11252647 0.72 GAA (0.48) HCAR1MAPTKDM4EPOLBL3MBTL1
SCHEMBL22552539 0.70 POLB (0.52) HCAR1MAPTKDM4EPOLBTDP1
SCHEMBL8721128 0.68 HCAR1 (0.55) HCAR1MAPTKDM4EPOLBTDP1
SCHEMBL76003 0.67 L3MBTL1 (0.39) HCAR1POLBTDP1L3MBTL1ALDH1A1
SCHEMBL3303708 0.67 ALDH1A1 (0.53) HCAR1MAPTKDM4EPOLBTDP1
SCHEMBL75271 0.67 POLB (0.39) HCAR1MAPTKDM4EPOLBTDP1
SCHEMBL8726258 0.66 LMNA (0.49) HCAR1MAPTKDM4EPOLBTDP1
SCHEMBL30673440 0.65 DHODH (0.54) POLBL3MBTL1ALDH1A1DHODH

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 HCAR1 1331/4885MAPT 3537/4885KDM4E 1757/4885

“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.