SCHEMBL2911129

SCHEMBL2911129

COC(=O)CC1C[N]CCN(C)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
LTA4H P09960 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MIF P14174 4/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL2910365 0.84 POLB (0.33) BRD4SMN1; SMN2MIF
SCHEMBL2915338 0.83 TSHR (0.33)
SCHEMBL2918787 0.79 DPP4 (0.32)
SCHEMBL26465285 0.79 BRD4 (0.58) BRD4LTA4HSMN1; SMN2
SCHEMBL10280096 0.78 BRD4 (0.53) BRD4LTA4HSMN1; SMN2
SCHEMBL5374782 0.78 BRD4 (0.41) BRD4LTA4HSMN1; SMN2MIFHDAC6
SCHEMBL2915538 0.75 BRD4 (0.37) BRD4SMN1; SMN2MIFHDAC6
SCHEMBL2921469 0.75 BRD4 (0.44) BRD4LTA4HSMN1; SMN2MIFHDAC6
SCHEMBL13189158 0.75 BRD4 (0.50) BRD4LTA4HSMN1; SMN2
SCHEMBL2920188 0.74 LMNA (0.32)

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 BRD4 848/4885LTA4H 113/4885SMN1; SMN2 3778/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 BRD4 500/4885LTA4H 104/4885SMN1; SMN2 3027/4885

“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.