SCHEMBL2915475

SCHEMBL2915475

CCOC(=O)CC1CCN(C)CC[N]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
GAA P10253 3/20 0.33
KMT2A Q03164 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP1A2 P05177 1/20 0.33
MIF P14174 1/20 0.33
MEN1 O00255 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
TRPA1 O75762 1/20 0.32

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 0.86 GAA (0.34) POLBGAAKMT2AMGAMSI
SCHEMBL2915818 0.84 BRD4 (0.36) MIFALDH1A1MAPTTSHR
SCHEMBL2912145 0.79 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1TSHR
SCHEMBL2920352 0.78 KMT2A (0.30) KMT2A
SCHEMBL2917399 0.78 SMN1; SMN2 (0.35) POLBGAAKMT2AMGAMSI
SCHEMBL7449462 0.78 KMT2A (0.40) POLBGAAKMT2AMGAMSI
SCHEMBL2607204 0.77 NCF1 (0.41) POLBGAAKMT2AMGAMSI
SCHEMBL2911152 0.74 POLB (0.36) POLBGAAKMT2AMGAMSI
SCHEMBL15800376 0.72 POLB (0.40) POLBGAAKMT2AMGAMSI
SCHEMBL9631456 0.72 SMN1; SMN2 (0.41) POLBGAAKMT2AMEN1ALDH1A1

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 3329/4885GAA 3552/4885KMT2A 4370/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 POLB 3819/4885GAA 3879/4885KMT2A 4143/4885

“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.