SCHEMBL4500451

SCHEMBL4500451

CC(C)(C)OC(=O)N1CCC(C[C]=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.49
EPHX1 P07099 1/20 0.49
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GLS O94925 1/20 0.46
GPR119 Q8TDV5 5/20 0.46
FAAH O00519 1/20 0.45
NR1H2 P55055 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45

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
SCHEMBL16162498 0.91 MEN1 (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL123942 0.86 MEN1 (0.52) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL4199356 0.86 HPGD (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL926115 0.86 HPGD (0.54) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL13597261 0.84 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL1186866 0.83 KDM4E (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL15085735 0.83 HPGD (0.57) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL4204781 0.82 MEN1 (0.55) HPGDEPHX1GLSNR1H2MAPT
SCHEMBL447042 0.81 HPGD (0.55) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL12082 0.81 HPGD (0.55) HPGDKDM4EPKMRECQLEPHX1

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
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 US claimed
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US claimed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
WO-2019142901-A1 METHOD FOR PRODUCING 1-(1-TERT-BUTOXYCARBONYL-4-PIPERIDYLACETYL)-4-MESYLOXYPIPERIDINE AND 1-(1-TERT-BUTOXYCARBONYL-4-PIPERIDYLACETYL)-4-MESYLOXYPIPERIDINE 有機合成薬品工業株式会社 2019-07-25 WO disclosed
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US disclosed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 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-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK HPGD 1573/4885KDM4E 2895/4885PKM 2093/4885
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 HPGD 274/4885KDM4E 1663/4885PKM 1906/4885

“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.