SCHEMBL4797728

SCHEMBL4797728

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
ASGR1 P07306 1/20 0.34
KDM4D Q6B0I6 1/20 0.32
USP30 Q70CQ3 2/20 0.31

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
SCHEMBL4797721 1.00 HSD11B1 (0.38) HSD11B1ASGR1KDM4DUSP30
SCHEMBL190837 0.83 HSD11B1 (0.47) HSD11B1ASGR1KDM4DUSP30
SCHEMBL4803692 0.83 HSD11B1 (0.40) HSD11B1ASGR1KDM4D
SCHEMBL4804112 0.83 HSD11B1 (0.40) HSD11B1ASGR1KDM4D
SCHEMBL5763497 0.79 HSD11B1 (0.37) HSD11B1ASGR1
SCHEMBL5763494 0.79 HSD11B1 (0.37) HSD11B1ASGR1
SCHEMBL28804053 0.79 HSD11B1 (0.44) HSD11B1ASGR1KDM4DUSP30
SCHEMBL28804055 0.79 HSD11B1 (0.44) HSD11B1ASGR1KDM4DUSP30
SCHEMBL5763983 0.78 NR1H2 (0.32) ASGR1
SCHEMBL5763985 0.78 NR1H2 (0.32) ASGR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030186984-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 HSD11B1 19/4885ASGR1 1121/4885KDM4D 2944/4885
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HSD11B1 14/4885ASGR1 1643/4885KDM4D 4372/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HSD11B1 14/4885ASGR1 1643/4885KDM4D 4372/4885

“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.