SCHEMBL74801

SCHEMBL74801

COc1ccc(N2CC(C(C)C)N(C3CC3)C2=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
HTR2C P28335 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
UGCG Q16739 1/20 0.38
PIK3CA P42336 1/20 0.37
ROCK2 O75116 4/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PDE5A O76074 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL76176 0.80 LMNA (0.43) LMNARAB9AMAPT
SCHEMBL9891768 0.73 HTR7 (0.40) ACACBHTR2CUGCGLMNATSHR
SCHEMBL74850 0.72 BCAT2 (0.40)
SCHEMBL24416849 0.71 LMNA (0.41) ACACBHTR2CUGCGLMNATSHR
SCHEMBL2863251 0.69 BPTF (0.49) HTR2CTSHRPDE4BPDE4DMAPT
SCHEMBL892593 0.68 HTR2C (0.48) HTR2CROCK2LMNATSHRMAPK1
SCHEMBL2858045 0.68 TSHR (0.74) TSHRHPGDCYP2D6ALDH1A1
SCHEMBL2866307 0.66 BPTF (0.55) HTR2CLMNATSHRHPGDPDE4B
SCHEMBL29741392 0.65 HPGD (0.63) HTR2CLMNATSHRHPGDHTT
SCHEMBL8324767 0.65 HPGD (0.63) HTR2CLMNATSHRHPGDHTT

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 ACACB 2076/4885HTR2C 1526/4885SLC6A2 3362/4885

“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.