SCHEMBL912790

SCHEMBL912790

CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](CC=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
ASGR1 P07306 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
LSS P48449 3/20 0.33
EPHX1 P07099 1/20 0.32
NR1H2 P55055 1/20 0.31
CNR2 P34972 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4D Q6B0I6 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL912788 1.00 HSD11B1 (0.38) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL4804604 0.87 HSD11B1 (0.38) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL4804600 0.87 HSD11B1 (0.38) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL5763497 0.85 HSD11B1 (0.37) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL5763494 0.85 HSD11B1 (0.37) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL31708245 0.84 EPHX1 (0.31) EPHX1NR1H2CNR2HDAC6
SCHEMBL190837 0.83 HSD11B1 (0.47) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL992656 0.83 HSD11B1 (0.39) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL992655 0.83 HSD11B1 (0.39) HSD11B1ASGR1JAK2JAK1JAK3
SCHEMBL23696267 0.83 NR1H2 (0.43) HSD11B1ASGR1JAK2JAK1JAK3

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
US-8247441-B2 Chromene compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2012-08-21 US disclosed
US-20110021490-A1 Chromene compounds, a process for their preparationand pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-01-27 US disclosed
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
EP-1458683-B1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7012077-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
EP-1458683-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-09-22 EP disclosed
US-20030186984-A1 Substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. 2003-10-02 US disclosed
WO-2003053933-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-07-03 WO disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 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 (4 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-20030186984-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 HSD11B1 19/4885ASGR1 1121/4885JAK2 3542/4885
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HSD11B1 14/4885ASGR1 1643/4885JAK2 3858/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HSD11B1 14/4885ASGR1 1643/4885JAK2 3858/4885
US-20110021490-A1 Chromene compounds, a process for their preparationand pharmaceutical compositions containing them CHRM3, CCKAR, ADRB3 HSD11B1 333/4885ASGR1 1093/4885JAK2 974/4885

“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.