SCHEMBL2911153

SCHEMBL2911153

CCOC(=O)CC1CCNCCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CYP1A2 P05177 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.34
OPRM1 P35372 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
PLAT P00750 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11116359 0.88 MGAM (0.43) POLBMGAMGAASIMGAM2
SCHEMBL123309 0.85 MGAM (0.38) POLBMGAMGAASIMGAM2
SCHEMBL172322 0.85 MGAM (0.38) POLBMGAMGAASIMGAM2
SCHEMBL5100727 0.83 POLB (0.43) POLBMGAMGAASIMGAM2
SCHEMBL5100837 0.83 POLB (0.43) POLBMGAMGAASIMGAM2
SCHEMBL2910104 0.83 EPHX1 (0.34) POLBGAAALDH1A1SMN1; SMN2
SCHEMBL5100832 0.83 POLB (0.43) POLBMGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL15157364 0.81 POLB (0.42) POLBMGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL15157362 0.81 POLB (0.42) POLBMGAMGAASIMGAM2
SCHEMBL1257413 0.81 POLB (0.45) POLBMGAMGAASIMGAM2

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 POLB 3329/4885MGAM 4454/4885GAA 3552/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 POLB 3819/4885MGAM 4648/4885GAA 3879/4885

“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.