SCHEMBL4804351

SCHEMBL4804351

CCN(CC#CC1CCC(N(C)C(=O)c2ccc(Cl)cc2)CC1)CCO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.59
L3MBTL1 Q9Y468 1/20 0.43
PDK2 Q15119 1/20 0.40
MBTPS1 Q14703 1/20 0.39
MCHR1 Q99705 2/20 0.37
KCNH2 Q12809 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 2/20 0.35
FASN P49327 1/20 0.34
HSD11B2 P80365 1/20 0.34

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
SCHEMBL4804360 1.00 LSS (0.59) LSSL3MBTL1PDK2MBTPS1MCHR1
SCHEMBL4804947 0.85 LSS (0.81) LSSKCNH2
SCHEMBL4805237 0.85 LSS (0.57) LSSMCHR1MEN1NPC1KMT2A
SCHEMBL4805242 0.85 LSS (0.57) LSSMCHR1MEN1NPC1KMT2A
SCHEMBL4804950 0.85 LSS (0.81) LSSKCNH2
SCHEMBL4801608 0.84 LSS (0.57) LSSL3MBTL1PDK2MCHR1KCNH2
SCHEMBL4801605 0.84 LSS (0.57) LSSL3MBTL1PDK2MCHR1KCNH2
SCHEMBL6448121 0.80 LSS (0.46) LSSMEN1POLBKMT2AHSD11B1
SCHEMBL7646287 0.77 LSS (0.48) LSSL3MBTL1MCHR1MEN1KMT2A
SCHEMBL4803931 0.76 LSS (0.89) LSSL3MBTL1KCNH2MEN1KMT2A

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-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
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US 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 2/4885L3MBTL1 1448/4885PDK2 1819/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885L3MBTL1 1448/4885PDK2 1819/4885

“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.