SCHEMBL4797476

SCHEMBL4797476

CN(C(=O)Oc1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.57
ACHE P22303 2/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PYGL P06737 1/20 0.41
TACR3 P29371 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4797473 1.00 LSS (0.57) LSSACHELMNAL3MBTL1RAB9A
SCHEMBL5030058 0.86 LSS (0.55) LSSACHELMNAL3MBTL1RAB9A
SCHEMBL5030060 0.86 LSS (0.55) LSSACHELMNAL3MBTL1RAB9A
SCHEMBL4797901 0.85 LSS (0.63) LSSACHELMNAL3MBTL1RAB9A
SCHEMBL4797907 0.85 LSS (0.63) LSSACHELMNAL3MBTL1RAB9A
SCHEMBL5024128 0.83 LSS (0.53) LSSACHELMNAL3MBTL1RAB9A
SCHEMBL5024125 0.83 LSS (0.53) LSSACHELMNAL3MBTL1RAB9A
SCHEMBL4804056 0.82 ACHE (0.48) LSSACHE
SCHEMBL4804047 0.82 ACHE (0.48) LSSACHE
SCHEMBL4803990 0.81 LSS (0.51) LSSACHELMNAL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100455566-C Novel derivatives of aminocyclohexane HOFFMANN LA ROCHE (CH) 2009-01-28 CN 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
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
CN-1468214-A Novel derivatives of aminocyclohexane - 2004-01-14 CN 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 LSS 2/4885ACHE 2513/4885LMNA 2735/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885ACHE 2513/4885LMNA 2735/4885

“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.