SCHEMBL923554

SCHEMBL923554

CC(C)(C)OC(=O)N(CC=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
ADH1A P07327 3/20 0.36
ADH1C P00326 2/20 0.36
HSD11B1 P28845 3/20 0.34
GAA P10253 1/20 0.34
DPP4 P27487 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8167342 0.98 EPHX1 (0.37) EPHX1ADH1AADH1CHSD11B1GAA
SCHEMBL13494081 0.88 F2 (0.38) EPHX1HSD11B1GAA
SCHEMBL3763763 0.86 EPHX1 (0.37) EPHX1ADH1AADH1CHSD11B1GAA
SCHEMBL27510109 0.85 EPHX1 (0.39) EPHX1HSD11B1GAADPP4
SCHEMBL13769592 0.82 EPHX1 (0.37) EPHX1HSD11B1GAADPP4MEN1
SCHEMBL16106366 0.82 HSD11B1 (0.37) EPHX1HSD11B1GAADPP4MEN1
SCHEMBL6476990 0.81
SCHEMBL13494079 0.81 ADH1A (0.41) EPHX1ADH1AADH1CHSD11B1GAA
SCHEMBL583649 0.81
SCHEMBL5965337 0.81

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
CN-105339357-A Acylaminocycloalkyl compounds suitable for treating disorders that respond to modulation of dopamine D3 receptor ABBVIE DEUTSCHLAND 2016-02-17 CN disclosed
US-7875647-B2 and inverse agonist; 2-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazole; obesity and obesity-related metabolic disorders GREEN CROSS CORPORATION (KR) 2011-01-25 US disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2008105607-A1 HETEROARYL-IMIDAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2008-09-04 WO disclosed
US-20080207705-A1 Heteroaryl-Imidazole Derivatives as Cannabinoid CB1 Receptor Antagonists GREEN CROSS CORPORATION (KR) 2008-08-28 US disclosed
US-20080081812-A1 Heteroaryl-Pyrazole Derivatives as Cannabinoid CB1 Receptor Antagonists GREEN CROSS CORPORATION (KR) 2008-04-03 US disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
WO-2004041795-A1 NOVEL INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-05-21 WO 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 (2 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-20080207705-A1 Heteroaryl-Imidazole Derivatives as Cannabinoid CB1 Receptor Antagonists CNR2, CNR1, GPR119 EPHX1 1493/4885ADH1A 708/4885ADH1C 378/4885
US-20080081812-A1 Heteroaryl-Pyrazole Derivatives as Cannabinoid CB1 Receptor Antagonists CNR2, CNR1, GPR119 EPHX1 1300/4885ADH1A 1361/4885ADH1C 994/4885

“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.