SCHEMBL4803396

SCHEMBL4803396

CCCN(C)CCCCOC1CCC(N(C)C(=O)Oc2ccc(F)cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.43
FAAH O00519 2/20 0.40
HTR2A P28223 2/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LTA4H P09960 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
SCHEMBL4803402 1.00 LSS (0.43) LSSFAAHHTR2AHTR1DHTR1B
SCHEMBL7211201 0.96 LSS (0.43) LSSFAAHHTR2ATHRATHRB
SCHEMBL7211205 0.96 LSS (0.43) LSSFAAHHTR2ATHRATHRB
SCHEMBL7208943 0.95 LSS (0.45) LSSFAAHHTR2ATHRATHRB
SCHEMBL4803192 0.90 LSS (0.48) LSSFAAHTHRATHRBTDP1
SCHEMBL4803189 0.90 LSS (0.48) LSSFAAHTHRATHRBTDP1
SCHEMBL4800940 0.88 LSS (0.56) LSS
SCHEMBL4800931 0.88 LSS (0.56) LSS
SCHEMBL4803304 0.87 LSS (0.57) LSS
SCHEMBL28941656 0.87 LSS (0.57) LSS

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 8 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
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 2/4885FAAH 1898/4885HTR2A 3743/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885FAAH 1898/4885HTR2A 3743/4885

“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.