SCHEMBL4805690

SCHEMBL4805690

CC(C)(C)OC(=O)NC1CCC(CCCCCBr)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.46
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 2/20 0.43
BTK Q06187 1/20 0.43
DRD3 P35462 2/20 0.43
CTSK P43235 2/20 0.41
GAA P10253 2/20 0.40
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL4805695 1.00 DRD2 (0.46) DRD2KDM1AMAOBEPHX1BTK
SCHEMBL22489272 0.94 DRD2 (0.48) DRD2KDM1AMAOBEPHX1BTK
SCHEMBL12406265 0.88 DRD2 (0.50) DRD2KDM1AMAOBEPHX1BTK
SCHEMBL28604444 0.87 TDP1 (0.50) DRD2KDM1AMAOBEPHX1BTK
SCHEMBL14231252 0.87 DRD2 (0.47) DRD2KDM1AMAOBEPHX1BTK
SCHEMBL30199256 0.85 DRD2 (0.48) DRD2KDM1AMAOBEPHX1BTK
SCHEMBL25685404 0.84 DRD2 (0.47) DRD2KDM1AMAOBEPHX1BTK
SCHEMBL19445904 0.84 DRD2 (0.49) DRD2KDM1AMAOBEPHX1BTK
SCHEMBL22488855 0.84 DRD2 (0.49) DRD2KDM1AMAOBEPHX1BTK
SCHEMBL21482088 0.84 DRD2 (0.49) DRD2KDM1AMAOBEPHX1BTK

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 DRD2 2455/4885KDM1A 3842/4885MAOB 2190/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 DRD2 2455/4885KDM1A 3842/4885MAOB 2190/4885

“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.