SCHEMBL2910490

SCHEMBL2910490

COC(=O)C1C[N]CCO1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
MIF P14174 3/20 0.33
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 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
SCHEMBL8317031 0.78
SCHEMBL2224043 0.75
SCHEMBL4914347 0.74
SCHEMBL28601788 0.74
SCHEMBL28589967 0.74
SCHEMBL1667137 0.74
SCHEMBL2918826 0.73
SCHEMBL4681297 0.73
SCHEMBL9393588 0.73 POLB (0.30)
SCHEMBL8860887 0.73 TSHR (0.33) HTTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
US-5643925-A COGNITION ACTIVATORS AND NERVE GROWTH FACTORS SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
US-5614521-A NERVE GROWTH FACTOR SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0501656-A2 New benzene derivatives having (NGF) production-promoting activity Sankyo Company Limited (JP) 1992-09-02 EP 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 PDK1 305/4885MIF 49/4885HTT 2730/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 PDK1 974/4885MIF 197/4885HTT 2548/4885

“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.