SCHEMBL4803801

SCHEMBL4803801

CN(C(=O)Oc1ccc(F)cc1F)[C@H]1CC[C@H](OCCCCBr)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.44
FAAH O00519 2/20 0.38
DPP4 P27487 7/20 0.37
DPP9 Q86TI2 6/20 0.37
DPP7 Q9UHL4 4/20 0.36
DPP8 Q6V1X1 3/20 0.36
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4803799 1.00 LSS (0.44) LSSFAAHDPP4DPP9DPP7
SCHEMBL4803189 0.90 LSS (0.48) LSSFAAHDPP4DPP9DPP7
SCHEMBL4803192 0.90 LSS (0.48) LSSFAAHDPP4DPP9DPP7
SCHEMBL4803396 0.86 LSS (0.43) LSSFAAHDPP4DPP9TDP1
SCHEMBL7211201 0.86 LSS (0.43) LSSFAAHTDP1THRATHRB
SCHEMBL4803402 0.86 LSS (0.43) LSSFAAHDPP4DPP9TDP1
SCHEMBL7211205 0.86 LSS (0.43) LSSFAAHTDP1THRATHRB
SCHEMBL4801824 0.86 LSS (0.49) LSSFAAHDPP4DPP9POLB
SCHEMBL4801819 0.86 LSS (0.49) LSSFAAHDPP4DPP9POLB
SCHEMBL7208943 0.85 LSS (0.45) LSSFAAHTHRATHRB

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 2/4885FAAH 1898/4885DPP4 1969/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885FAAH 1898/4885DPP4 1969/4885

“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.