Sugi Predict

Sugi Predict / Compounds / SCHEMBL4805356

SCHEMBL4805356

SCHEMBL4805356

CC(C)(C)OC(=O)CN[C@H]1CC[C@H](CCC(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM7A Q6ZMT4 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ PHF8 Q9UPP1 1/20 0.33
▸ KDM2A Q9Y2K7 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ NR1H2 P55055 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
SCHEMBL4803394 0.90 KDM5A (0.43) HRH3KDM5AKDM7AKDM4CPHF8
SCHEMBL4803390 0.90 KDM5A (0.43) HRH3KDM5AKDM7AKDM4CPHF8
SCHEMBL7380787 0.86 EPHX1 (0.38) HRH3CTSKL3MBTL1KMT2AALDH1A1
SCHEMBL6019038 0.84 KMT2A (0.39) HRH3KDM5AKDM7AKDM4CPHF8
SCHEMBL8585956 0.83 NR1H2 (0.42) HRH3CTSSCTSKDRD2L3MBTL1
SCHEMBL8585954 0.83 NR1H2 (0.42) HRH3CTSSCTSKDRD2L3MBTL1
SCHEMBL5166625 0.82 HRH3 (0.32) HRH3BTK
SCHEMBL8585947 0.80 BTK (0.44) HRH3L3MBTL1KMT2AALDH1A1BTK
SCHEMBL1344890 0.80 BTK (0.44) HRH3L3MBTL1KMT2AALDH1A1BTK
SCHEMBL1299112 0.80 BTK (0.44) HRH3L3MBTL1KMT2AALDH1A1BTK

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 HRH3 3837/4885KDM5A 4086/4885KDM7A 3532/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HRH3 3837/4885KDM5A 4086/4885KDM7A 3532/4885

“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.