SCHEMBL4803673

SCHEMBL4803673

C=CCN(C)CCCCCCO[C@H]1CC[C@H](N(C)C(=S)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.46
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 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
SCHEMBL4803666 1.00 LSS (0.46) LSSLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL4802677 0.90 LSS (0.45) LSSLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL4802688 0.90 LSS (0.45) LSSLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL4805073 0.89 LSS (0.52) LSSLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL4799618 0.89 LSS (0.52) LSSLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL4799620 0.89 LSS (0.52) LSSLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL4805067 0.89 LSS (0.52) LSSLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL4805759 0.89 LSS (0.50) LSSLMNAMAPT
SCHEMBL4805764 0.89 LSS (0.50) LSSLMNAMAPT
SCHEMBL4807223 0.88 LSS (0.44) LSSLMNAMAPTSMN1; SMN2KDM4E

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 2/4885LMNA 2735/4885MAPT 4081/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885LMNA 2735/4885MAPT 4081/4885

“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.