SCHEMBL6450100

SCHEMBL6450100

CCN(CCO)CCOCCC1CCN(C(=O)OCC(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.35
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.33
CHRM4 P08173 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
ENPP2 Q13822 3/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
LSS P48449 1/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL6449214 0.94 ALDH1A1 (0.37) GPR119RAB9AKDM4EALDH1A1GAA
SCHEMBL7174776 0.80 HRH2 (0.39) GPR119RAB9AGAAENPP2JAK2
SCHEMBL5035602 0.78 ALDH1A1 (0.38) GPR119RAB9AKDM4EALDH1A1GAA
SCHEMBL1692765 0.78 RAB9A (0.46) GPR119RAB9AGAANOS3NOS2
SCHEMBL6449406 0.77 LSS (0.36) GPR119RAB9ACHRM4ENPP2JAK2
SCHEMBL7166277 0.77 BCHE (0.38) KDM4EALDH1A1CHRM4LSSHRH3
SCHEMBL6449244 0.76 LSS (0.52) GAALSSCHRM2CHRM1
SCHEMBL3132481 0.74 RAB9A (0.44) GPR119RAB9AGAANOS3NOS2
SCHEMBL1841296 0.74 RAB9A (0.44) GPR119RAB9AGAANOS3NOS2
SCHEMBL5038776 0.74 LSS (0.45) ALDH1A1LSSHRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed
EP-1317432-A1 PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
US-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. 2002-06-06 US disclosed
WO-2002020483-A1 PIPERIDINE DERIVATIVES FOR USE 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 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 (1 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-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 GPR119 30/4885RAB9A 1392/4885KDM4E 3840/4885

“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.