SCHEMBL4805368

SCHEMBL4805368

CCCN[C@H]1CC[C@H](OCCCCCCN(C)CCOC)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
LSS P48449 1/20 0.30
KDM5A P29375 1/20 0.30
GNAI3 P08754 2/20 0.30
GNAO1 P09471 2/20 0.30
GNAI1 P63096 2/20 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
SCHEMBL4805338 1.00 EPHX2 (0.33) EPHX2TLR8TLR7CNR1CNR2
SCHEMBL5015838 0.90 EPHX2 (0.33) EPHX2CNR1CNR2LSSGNAI3
SCHEMBL5015835 0.90 EPHX2 (0.33) EPHX2CNR1CNR2LSSGNAI3
SCHEMBL4803717 0.90 EPHX2 (0.32) EPHX2LSS
SCHEMBL4803724 0.90 EPHX2 (0.32) EPHX2LSS
SCHEMBL4800954 0.84 LSS (0.32) EPHX2LSS
SCHEMBL4800963 0.84 LSS (0.32) EPHX2LSS
SCHEMBL4809129 0.79 GRIN2B (0.42)
SCHEMBL4809126 0.79 GRIN2B (0.42)
SCHEMBL22764077 0.79 CD38 (0.36) EPHX2

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 7 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
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-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 (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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 EPHX2 711/4885TLR8 4172/4885TLR7 4353/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 EPHX2 711/4885TLR8 4172/4885TLR7 4353/4885

“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.