SCHEMBL4461848

SCHEMBL4461848

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(C4CCNCC4)s3)C2)cc1O[C@@H]1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.42
PDE4D Q08499 11/20 0.41
PDE4B Q07343 7/20 0.41
PDE4C Q08493 7/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL4461866 1.00 PDE4A (0.42) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL4471363 0.90 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CSMN1; SMN2
SCHEMBL4460889 0.88 PDE4B (0.48) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL3549508 0.88 MEN1 (0.41) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL13605233 0.88 PDE4B (0.38) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL4468653 0.86 PDE4A (0.50) PDE4APDE4DPDE4BPDE4CSMN1; SMN2
SCHEMBL4460875 0.85 PDE4A (0.44) PDE4APDE4DPDE4BPDE4CSMN1; SMN2
SCHEMBL4474117 0.85 PDE4A (0.43) PDE4APDE4DPDE4BPDE4CSMN1; SMN2
SCHEMBL4467432 0.84 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL4465925 0.84 ALDH1A1 (0.46) PDE4APDE4DPDE4BPDE4CMEN1

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 1/4885PDE4D 9/4885PDE4B 2/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A PDE4A 1/4885PDE4D 9/4885PDE4B 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.