SCHEMBL4806095

SCHEMBL4806095

CN(CCO)CCCCCCOC1CCC(N(Cc2ccccc2)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
LTA4H P09960 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LSS P48449 1/20 0.37
CCR6 P51684 1/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4806102 1.00 HTR2A (0.39) HTR2APTGDR2LTA4HMEN1KMT2A
SCHEMBL7206809 0.93 HTR2A (0.41) HTR2APTGDR2LTA4HMEN1KMT2A
SCHEMBL4798956 0.93 CCR5 (0.43) LTA4HTMEM97
SCHEMBL4798949 0.93 CCR5 (0.43) LTA4HTMEM97
SCHEMBL7206805 0.93 HTR2A (0.41) HTR2APTGDR2LTA4HMEN1KMT2A
SCHEMBL4801905 0.92 PTGDR2 (0.40) HTR2APTGDR2LTA4HMEN1KMT2A
SCHEMBL4801914 0.92 PTGDR2 (0.40) HTR2APTGDR2LTA4HMEN1KMT2A
SCHEMBL7206156 0.91 CCR5 (0.43) HTR2ALTA4HLSSTMEM97L3MBTL1
SCHEMBL7206162 0.91 CCR5 (0.43) HTR2ALTA4HLSSTMEM97L3MBTL1
SCHEMBL4806532 0.90 SIGMAR1 (0.42) HTR2APTGDR2LSSTMEM97SIGMAR1

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 HTR2A 3743/4885PTGDR2 204/4885LTA4H 535/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HTR2A 3743/4885PTGDR2 204/4885LTA4H 535/4885

“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.