SCHEMBL2917560

SCHEMBL2917560

CCOC(=O)CC1C[N]CCN1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
POLB P06746 2/20 0.34
MIF P14174 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TRPA1 O75762 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 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
SCHEMBL2919711 0.91 POLB (0.35) GAAMGAMSIMGAM2POLB
SCHEMBL2920155 0.86 POLB (0.36) GAAMGAMSIMGAM2POLB
SCHEMBL2915538 0.84 BRD4 (0.37) MIFLMNATSHRSMN1; SMN2
SCHEMBL2920299 0.79
SCHEMBL2915892 0.78 TSHR (0.37) GABRA1GABRB2TSHR
SCHEMBL2910365 0.77 POLB (0.33) GAAMGAMSIMGAM2POLB
SCHEMBL2919204 0.77
SCHEMBL2912299 0.75 BRD4 (0.36) MIFKMT2ASMN1; SMN2
SCHEMBL2917765 0.74
SCHEMBL3310851 0.74 MAPT (0.40) MAPTLMNAALDH1A1KMT2A

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 6 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

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 GAA 3552/4885MGAM 4454/4885SI 2326/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 GAA 3879/4885MGAM 4648/4885SI 927/4885

“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.