SCHEMBL4468329

SCHEMBL4468329

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(CC(=O)N4CCOCC4)s3)C2)cc1O[C@@H]1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
PDE4A P27815 10/20 0.40
PDE4B Q07343 6/20 0.40
PDE4D Q08499 6/20 0.40
PDE4C Q08493 5/20 0.40
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL4463376 0.96 PDE4A (0.42) GAAPDE4APDE4BPDE4DPDE4C
SCHEMBL4476175 0.95 PDE4A (0.42) GAAPDE4APDE4BPDE4DPDE4C
SCHEMBL3546085 0.89 ALDH1A1 (0.41) GAAPDE4APDE4BPDE4DPDE4C
SCHEMBL4471363 0.87 PDE4A (0.45) GAAPDE4APDE4BPDE4DPDE4C
SCHEMBL4463212 0.86 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CKMT2A
SCHEMBL4474092 0.86 PTPRE (0.41) PDE4APDE4BPDE4DPDE4CSMN1; SMN2
SCHEMBL3551646 0.85 ALDH1A1 (0.42) GAAPDE4APDE4BPDE4DPDE4C
SCHEMBL4468653 0.84 PDE4A (0.50) PDE4APDE4BPDE4DPDE4CALDH1A1
SCHEMBL3547091 0.84 ALDH1A1 (0.41) GAAPDE4APDE4BPDE4DPDE4C
SCHEMBL4474117 0.84 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 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-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
EP-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP 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
WO-2006044955-A1 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 (2 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-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 GAA 2299/4885PDE4A 1/4885PDE4B 2/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A GAA 586/4885PDE4A 1/4885PDE4B 5/4885

“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.