SCHEMBL2845329

SCHEMBL2845329

COc1ccc(C2NN(CCCCBr)C(=O)C2(C)C)c2ccc(C)nc12

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.31
PDE4D Q08499 3/20 0.31
PDE4B Q07343 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE3A Q14432 1/20 0.31
SLC6A2 P23975 2/20 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
SCHEMBL2841666 0.89 PDE4B (0.43) PDE4DPDE4BPDE4APDE4CPDE3A
SCHEMBL2845708 0.88 SLC6A2 (0.31) PDE4DSLC6A2
SCHEMBL2842067 0.85 KDM4E (0.36) PDE4DPDE4BPDE4APDE4C
SCHEMBL2845151 0.79 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CPDE3A
SCHEMBL2852196 0.78 PDE4B (0.44) PDE4BPDE3A
SCHEMBL2850757 0.76 PDE4B (0.43) PDE4BPDE3A
SCHEMBL2845290 0.75 PDE4B (0.43) PDE4DPDE4BPDE3ASLC6A2
SCHEMBL2851786 0.74 CASR (0.30)
SCHEMBL2845332 0.72 PDE4B (0.42) CNR2PDE4DPDE4BPDE4APDE4C
SCHEMBL2843131 0.69 PDE4B (0.43) PDE4BPDE3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 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 (1 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A CNR2 2464/4885PDE4D 13/4885PDE4B 6/4885

“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.