SCHEMBL708630

SCHEMBL708630

CC(C)(C)OC(=O)N1CC(OCc2ccccc2)C[C@@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.52
AGTR2 P50052 6/20 0.52
KLK7 P49862 1/20 0.48
MCL1 Q07820 5/20 0.45
UCHL1 P09936 1/20 0.44
BDKRB2 P30411 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL376159 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL3179881 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL708629 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL7287734 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL1448119 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL949983 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL708628 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL26604823 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL13164545 0.95 ABCB1 (0.47) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL29548192 0.93 MCL1 (0.50) ABCB1AGTR2KLK7MCL1UCHL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed
EP-2280970-B1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8124636-B2 Imidazolidinone derivatives as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-7910590-B2 Cyclic amine bace-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2011-03-22 US disclosed
EP-2280970-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
WO-2009132986-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HOFFMANN-LA ROCHE, INC. 2009-11-05 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
EP-1660447-B1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORP (US) 2008-07-30 EP disclosed
EP-1660447-A1 CYCLIC AMINE BASE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION (US) 2006-05-31 EP disclosed
US-20050043290-A1 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY INC. 2005-02-24 US disclosed
WO-2005014540-A1 CYCLIC AMINE BASE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION (US) 2005-02-17 WO disclosed
US-5340801-A Compounds having cholecystokinin and gastrin antagonistic properties RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-08-23 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 (3 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-20050043290-A1 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent BACE1, BACE2, PSEN1 ABCB1 301/4885AGTR2 71/4885KLK7 4546/4885
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HSD11B1, HSD17B1, HSD17B11 ABCB1 285/4885AGTR2 959/4885KLK7 453/4885
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT BACE1, BACE2, PSEN1 ABCB1 301/4885AGTR2 71/4885KLK7 4546/4885

“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.