SCHEMBL3596979

SCHEMBL3596979

COc1ccc(-c2ccnn2C2CCCCC2)cc1OC1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.44
NR3C2 P08235 1/20 0.41
PDE4D Q08499 8/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE4A P27815 4/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
PDE4C Q08493 2/20 0.39
BRD4 O60885 1/20 0.39
BRD3 Q15059 1/20 0.39
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL4190830 0.85 PDE4B (0.45) PDE4BPDE4DGAATSHRMAPK1
SCHEMBL3607474 0.85 PDE4B (0.42) PDE4BPDE4DGAATSHRMAPK1
SCHEMBL3604579 0.83 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CBRD4
SCHEMBL3601856 0.81 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CBRD4
SCHEMBL3611431 0.81 PDE4B (0.44) PDE4BPDE4DPDE4ABRD4BRD3
SCHEMBL4189771 0.81 NR3C2 (0.48) PDE4BNR3C2PDE4DPDE4A
SCHEMBL3610265 0.80 PDE4D (0.45) PDE4BPDE4DGAAPDE4APDE4C
SCHEMBL3606522 0.80 PDE4D (0.47) PDE4BNR3C2PDE4DPDE4A
SCHEMBL4188645 0.80 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CCFTR
SCHEMBL3611676 0.80 PDE4D (0.45) PDE4BPDE4DPDE4APDE4CCFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US claimed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US claimed
EP-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP claimed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 US claimed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO claimed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-09-03 US disclosed
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US disclosed
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
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US disclosed
EP-1799673-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-7226930-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICAL CORPORATION (US) 2007-06-05 US 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
EP-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP disclosed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 US disclosed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 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 (6 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 PDE4B 2/4885NR3C2 646/4885PDE4D 6/4885
US-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PDE4B 2/4885NR3C2 646/4885PDE4D 6/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4B 2/4885NR3C2 646/4885PDE4D 6/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PDE4B 2/4885NR3C2 646/4885PDE4D 6/4885
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4B 2/4885NR3C2 646/4885PDE4D 6/4885
US-20040229918-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PDE4B 2/4885NR3C2 646/4885PDE4D 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.