SCHEMBL5763497

SCHEMBL5763497

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
KAT6A Q92794 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
ASGR1 P07306 1/20 0.33
LSS P48449 2/20 0.32
EPHX1 P07099 1/20 0.31
CNR2 P34972 1/20 0.30
NR1H2 P55055 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
SCHEMBL5763494 1.00 HSD11B1 (0.37) HSD11B1JAK2JAK1JAK3KAT6A
SCHEMBL912790 0.85 HSD11B1 (0.38) HSD11B1JAK2JAK1JAK3KAT6A
SCHEMBL912788 0.85 HSD11B1 (0.38) HSD11B1JAK2JAK1JAK3KAT6A
SCHEMBL21996817 0.82 HSD11B1 (0.40) HSD11B1JAK2JAK1JAK3KAT6A
SCHEMBL22849370 0.82 HSD11B1 (0.40) HSD11B1JAK2JAK1JAK3KAT6A
SCHEMBL190837 0.81 HSD11B1 (0.47) HSD11B1JAK2JAK1JAK3KAT6A
SCHEMBL24449381 0.80 HSD11B1 (0.40) HSD11B1JAK2JAK1JAK3KAT6A
SCHEMBL24449608 0.80 HSD11B1 (0.40) HSD11B1JAK2JAK1JAK3KAT6A
SCHEMBL24448742 0.80 HSD11B1 (0.40) HSD11B1JAK2JAK1JAK3KAT6A
SCHEMBL4805517 0.80 NR1H2 (0.43) HSD11B1JAK2JAK1JAK3KAT6A

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-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
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

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-20030186984-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 HSD11B1 19/4885JAK2 3542/4885JAK1 2715/4885

“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.