SCHEMBL4460875

SCHEMBL4460875

COc1ccc(-c2nnc(NC(=O)CN3C[C@H](c4ccc(OC)c(O[C@@H]5CCOC5)c4)CC3=O)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.44
PDE4B Q07343 7/20 0.43
PDE4C Q08493 7/20 0.43
PDE4D Q08499 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
DGAT1 O75907 1/20 0.40
WNT3A P56704 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE10A Q9Y233 1/20 0.39
PAX8 Q06710 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
SCHEMBL4468653 0.94 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4474092 0.90 PTPRE (0.41) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4471363 0.89 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4465925 0.88 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3551163 0.88 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4474117 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4461866 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4461848 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4467432 0.85 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4463376 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DHPGD

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 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.