SCHEMBL4803189

SCHEMBL4803189

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.48
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 2/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DPP4 P27487 2/20 0.35
DPP9 Q86TI2 2/20 0.35
ACKR3 P25106 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL4803192 1.00 LSS (0.48) LSSKDM4ESMN1; SMN2FAAHTHRA
SCHEMBL4803402 0.90 LSS (0.43) LSSFAAHTHRATHRBTDP1
SCHEMBL7211205 0.90 LSS (0.43) LSSFAAHTHRATHRBTDP1
SCHEMBL7211201 0.90 LSS (0.43) LSSFAAHTHRATHRBTDP1
SCHEMBL4803396 0.90 LSS (0.43) LSSFAAHTHRATHRBTDP1
SCHEMBL4803801 0.90 LSS (0.44) LSSFAAHTHRATHRBKCNH2
SCHEMBL4803799 0.90 LSS (0.44) LSSFAAHTHRATHRBKCNH2
SCHEMBL7208943 0.89 LSS (0.45) LSSFAAHTHRATHRB
SCHEMBL4801819 0.88 LSS (0.49) LSSFAAHTHRATHRBTDP1
SCHEMBL4800931 0.88 LSS (0.56) LSSPOLBTSHRMAPK1

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 2/4885KDM4E 4198/4885SMN1; SMN2 4844/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885KDM4E 4198/4885SMN1; SMN2 4844/4885

“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.