SCHEMBL4804850

SCHEMBL4804850

COCCN(C)CCCCCCO[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
HTR1A P08908 3/20 0.40
HTR7 P34969 3/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TBXA2R P21731 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4804845 1.00 MEN1 (0.42) MEN1KMT2AMAPK1HTR1AHTR7
SCHEMBL4806206 0.90 MAPK1 (0.44) MEN1KMT2AMAPK1HTR1AHTR7
SCHEMBL4806203 0.90 MAPK1 (0.44) MEN1KMT2AMAPK1HTR1AHTR7
SCHEMBL4797209 0.83 HTR2A (0.49) ALDH1A1GAA
SCHEMBL4797210 0.83 HTR2A (0.49) ALDH1A1GAA
SCHEMBL7208930 0.82 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL7209346 0.81 KDM4E (0.40) MEN1KMT2AMAPK1LMNAALDH1A1
SCHEMBL4806576 0.80 PSEN1 (0.39) KMT2AHTTALDH1A1
SCHEMBL4806586 0.80 PSEN1 (0.39) KMT2AHTTALDH1A1
SCHEMBL4801651 0.80 PSEN1 (0.41) KMT2AALDH1A1

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 7 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
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 MEN1 429/4885KMT2A 3998/4885MAPK1 853/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 MEN1 429/4885KMT2A 3998/4885MAPK1 853/4885

“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.