SCHEMBL4801680

SCHEMBL4801680

C=CCN(C)CCCCCCOC1CCC(N(C)C(=O)Nc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 14/20 0.52
ATM Q13315 1/20 0.48
TP53 P04637 1/20 0.42
NPY5R Q15761 2/20 0.41
CCR5 P51681 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4801683 1.00 LSS (0.52) LSSATMTP53NPY5RCCR5
SCHEMBL4803067 0.91 LSS (0.51) LSSATMNPY5RRAB9A
SCHEMBL4803357 0.91 LSS (0.51) LSSATMNPY5RRAB9A
SCHEMBL4803363 0.91 LSS (0.51) LSSATMNPY5RRAB9A
SCHEMBL4803072 0.91 LSS (0.51) LSSATMNPY5RRAB9A
SCHEMBL4807837 0.91 LSS (0.51) LSSATMNPY5RRAB9A
SCHEMBL4807825 0.91 LSS (0.51) LSSATMNPY5RRAB9A
SCHEMBL4804890 0.91 LSS (0.50) LSS
SCHEMBL4805759 0.91 LSS (0.50) LSSATMRAB9A
SCHEMBL4806260 0.91 LSS (0.61) LSSATMNPY5RCCR5RAB9A

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 5 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
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US 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 2/4885ATM 2256/4885TP53 877/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885ATM 2256/4885TP53 877/4885

“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.