SCHEMBL4806586

SCHEMBL4806586

CCN([C@H]1CC[C@H](OCCCCCCN(C)CCOC)CC1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.39
PSEN2 P49810 8/20 0.39
APH1B Q8WW43 8/20 0.39
NCSTN Q92542 8/20 0.39
APH1A Q96BI3 8/20 0.39
PSENEN Q9NZ42 8/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LSS P48449 3/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.34
THRB P10828 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
SCHEMBL4806576 1.00 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4801644 0.93 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4801651 0.93 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4808112 0.90 NPSR1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4808115 0.90 NPSR1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4797210 0.89 HTR2A (0.49) HTR2AHTR2CL3MBTL1LSSALDH1A1
SCHEMBL4797209 0.89 HTR2A (0.49) HTR2AHTR2CL3MBTL1LSSALDH1A1
SCHEMBL4799217 0.88 LSS (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4799208 0.88 LSS (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4804628 0.86 RORC (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 2915/4885PSEN2 2356/4885APH1B 432/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 PSEN1 2915/4885PSEN2 2356/4885APH1B 432/4885

“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.