SCHEMBL3554826

SCHEMBL3554826

COc1ccc(C2CNC(=O)C2)cc1OC1CCCCCC1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.98
PDE4B Q07343 12/20 0.98
PDE4C Q08493 11/20 0.98
PDE4D Q08499 11/20 0.98
CYP3A4 P08684 2/20 0.98
VEGFA P15692 1/20 0.98
ALDH1A1 P00352 1/20 0.98
LMNA P02545 1/20 0.98
CYP1A2 P05177 1/20 0.98
MAPT P10636 1/20 0.98
CYP2C9 P11712 1/20 0.98
ALOX15 P16050 1/20 0.98
CREBBP Q92793 1/20 0.98
KDM4E B2RXH2 1/20 0.98
PDE5A O76074 1/20 0.98
TNF P01375 1/20 0.98
MAPK1 P28482 1/20 0.98
BLM P54132 1/20 0.98
PDE1A P54750 1/20 0.98
PDE1B Q01064 1/20 0.98

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
SCHEMBL3544304 1.00 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DCYP3A4
S-Rolipram SCHEMBL5321568 0.99 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
Rolipram SCHEMBL27930 0.99 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
(-)-Rolipram SCHEMBL29598924 0.99 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
(-)-Rolipram SCHEMBL576805 0.99 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
Rolipram SCHEMBL3719855 0.99 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
Rolipram SCHEMBL29360376 0.99 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
S-Rolipram SCHEMBL29475409 0.99 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
Rolipram SCHEMBL15208132 0.98 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DCYP3A4
Rolipram SCHEMBL28973411 0.98 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696198-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 US disclosed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-20090176799-A1 PHOSPHODIESTERASE 4 INHIBITORS RUIPING LIU 2009-07-09 US disclosed
US-7235579-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-06-26 US disclosed
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis MEMORY PHARMACEUTICALS CORPORATION 2006-06-22 US disclosed
US-20050272803-A1 Phosphodiesterase 4 inhibitors RUIPING LIU 2005-12-08 US disclosed
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US disclosed
EP-1435944-A1 4(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES Memory Pharmaceutical Corporation (US) 2004-07-14 EP disclosed
US-20030139406-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-07-24 US disclosed
WO-2003032981-A1 4-(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES MEMORY PHARMACEUTICALS CORPORATION (US) 2003-04-24 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-20030139406-A1 Phosphodiesterase 4 inhibitors PDE12, PDE4A, PDE5A PDE4A 2/4885PDE4B 7/4885PDE4C 8/4885
US-20090176799-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE12, PDE3B PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20050026913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20050272803-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 PDE4A 1/4885PDE4B 2/4885PDE4C 8/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885

“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.