SCHEMBL2901839

SCHEMBL2901839

COc1ccc(N2CCC(NCc3cccnc3)CC2)nc1O[C@@H]1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.43
OGA O60502 2/20 0.42
SUV39H2 Q9H5I1 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
RAD52 P43351 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL2901841 1.00 VCP (0.43) VCPOGASUV39H2KDM4EALDH1A1
SCHEMBL5820437 0.87 MAP4K4 (0.41) OGA
SCHEMBL5820433 0.80
SCHEMBL2901836 0.79 PDE4D (0.37)
SCHEMBL2908190 0.73 PDE4D (0.42) ALDH1A1
SCHEMBL1157245 0.72 PDE4D (0.48) KDM4EALDH1A1
SCHEMBL2901989 0.71 PDE4D (0.42)
SCHEMBL2901842 0.70 PDE4D (0.38)
SCHEMBL6687651 0.69 ALDH1A1 (0.72) KDM4EALDH1A1PKM
SCHEMBL2909504 0.69 SYK (0.41) KDM4EALDH1A1

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
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B VCP 4492/4885OGA 3195/4885SUV39H2 1670/4885

“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.