SCHEMBL4801605

SCHEMBL4801605

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.46
PDK2 Q15119 1/20 0.42
MCHR1 Q99705 5/20 0.39
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 2/20 0.36
FASN P49327 1/20 0.36
HSD11B2 P80365 1/20 0.36
P2RX7 Q99572 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
HTR2C P28335 2/20 0.35
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 1/20 0.34
AGER Q15109 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
SCHEMBL4801608 1.00 LSS (0.57) LSSL3MBTL1PDK2MCHR1NPC1
SCHEMBL4797702 0.84 LSS (0.55) LSSNPC1KMT2AJAK1ALDH1A1
SCHEMBL4804545 0.84 LSS (0.80) LSSL3MBTL1
SCHEMBL4804360 0.84 LSS (0.59) LSSL3MBTL1PDK2MCHR1NPC1
SCHEMBL4804351 0.84 LSS (0.59) LSSL3MBTL1PDK2MCHR1NPC1
SCHEMBL4797696 0.84 LSS (0.55) LSSNPC1KMT2AJAK1ALDH1A1
SCHEMBL4804555 0.84 LSS (0.80) LSSL3MBTL1
SCHEMBL6450856 0.80 MGLL (0.47) LSSMEN1POLBKMT2AHSD11B1
SCHEMBL7209103 0.78 LSS (0.46) LSS
SCHEMBL4807658 0.78 HTR2A (0.53) LSSL3MBTL1HTR2C

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 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.