SCHEMBL4802673

SCHEMBL4802673

CCN(CCO)CCCCC[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(F)cc2F)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.67
TDP1 Q9NUW8 1/20 0.42
BCHE P06276 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35
FAAH O00519 1/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL4802664 1.00 LSS (0.67) LSSTDP1BCHEHRH3FAAH
SCHEMBL4801824 0.86 LSS (0.49) LSSTDP1HRH3FAAH
SCHEMBL4801819 0.86 LSS (0.49) LSSTDP1HRH3FAAH
SCHEMBL4798526 0.86 LSS (0.73) LSSBCHEACHE
SCHEMBL4798538 0.86 LSS (0.73) LSSBCHEACHE
SCHEMBL7210821 0.86 LSS (0.52) LSSTDP1BCHEFAAHACHE
SCHEMBL4799741 0.85 LSS (0.78) LSSTDP1BCHEACHE
SCHEMBL4799746 0.85 LSS (0.78) LSSTDP1BCHEACHE
SCHEMBL4802954 0.81 LSS (0.68) LSSTDP1
SCHEMBL4802961 0.81 LSS (0.68) LSSTDP1

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 2/4885TDP1 1887/4885BCHE 736/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885TDP1 1887/4885BCHE 736/4885

“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.