SCHEMBL3607094

SCHEMBL3607094

CCc1nn(C2CCOCC2)c2cc(-c3ccnn3-c3ccc(OCCOC)cc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.42
KHK P50053 3/20 0.39
HTR6 P50406 1/20 0.36
PDE4D Q08499 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3594008 0.95 KHK (0.41) PIK3CDKHKPTGDR2CYP1A2CYP3A4
SCHEMBL4919460 0.93 PIK3CD (0.42) PIK3CDKHKPDE4DPTGDR2CYP1A2
SCHEMBL3608003 0.92 PIK3CD (0.43) PIK3CDKHKPDE4DPTGDR2CYP1A2
SCHEMBL3612172 0.92 PIK3CD (0.40) PIK3CDKHKPDE4D
SCHEMBL3613615 0.86 KHK (0.40) KHKPDE4D
SCHEMBL3607684 0.85 KHK (0.44) PIK3CDKHKPDE1APDE1BPDE1C
SCHEMBL3616568 0.84 PIK3CD (0.40) PIK3CDKHKPDE4D
SCHEMBL3601859 0.83 KHK (0.43) KHKPDE4D
SCHEMBL3608097 0.83 PDE1B (0.37) HTR6PDE4DPDE1APDE1BPDE1C
SCHEMBL3609271 0.82 PTGS2 (0.45) PIK3CDKHKPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US claimed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US claimed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US claimed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US claimed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US claimed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
EP-1799673-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO 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 (3 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PIK3CD 1375/4885KHK 997/4885HTR6 409/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 PIK3CD 1375/4885KHK 997/4885HTR6 409/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PIK3CD 1375/4885KHK 997/4885HTR6 409/4885

“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.