SCHEMBL6450266

SCHEMBL6450266

CC(C)(C)OC(=O)N1CCC(C#CCCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.45
EPHX1 P07099 1/20 0.45
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
DPP4 P27487 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6456079 0.88 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL6446543 0.85 GPR119 (0.44) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL27120710 0.84 HPGD (0.48) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL6450758 0.82 GPR119 (0.43) HPGDRECQLEPHX1GPR119
SCHEMBL12820311 0.80 HPGD (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL25256802 0.80 ALDH1A1 (0.46) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL15203221 0.79 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL6451175 0.79 GPR119 (0.43) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL6449345 0.78 RECQL (0.42) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL31586656 0.78 HPGD (0.50) HPGDRECQLEPHX1USP2SMN1; SMN2

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
CN-117917410-A Pan-KRAS degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed
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 HPGD 43/4885RECQL 3404/4885EPHX1 2072/4885

“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.