SCHEMBL2917399

SCHEMBL2917399

CCOC(=O)CC1CN(C)CCC[N]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 3/20 0.35
MIF P14174 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2B Q13224 1/20 0.31
TRPA1 O75762 1/20 0.31
THRB P10828 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
SCHEMBL2919413 0.91 GAA (0.34) SMN1; SMN2POLBMIFKMT2AGAA
SCHEMBL2917952 0.85 BRD4 (0.42) SMN1; SMN2POLBMIFKMT2ATSHR
SCHEMBL2914152 0.80 SMN1; SMN2 (0.33) SMN1; SMN2TSHR
SCHEMBL2920274 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL2915475 0.78 POLB (0.36) POLBMIFKMT2AGAAMGAM
SCHEMBL7449462 0.76 KMT2A (0.40) SMN1; SMN2POLBMIFKMT2AGAA
SCHEMBL2921469 0.75 BRD4 (0.44) SMN1; SMN2MIFTSHRHSD17B10
SCHEMBL2607044 0.75 SMN1; SMN2 (0.45) SMN1; SMN2POLBKMT2AGAAMGAM
SCHEMBL2915904 0.75 POLB (0.36) SMN1; SMN2POLBMIFKMT2AGAA
SCHEMBL25678365 0.72 MGAM (0.43) POLBKMT2AGAAMGAMSI

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 SMN1; SMN2 3778/4885POLB 3329/4885MIF 49/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SMN1; SMN2 3027/4885POLB 3819/4885MIF 197/4885

“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.