SCHEMBL4467393

SCHEMBL4467393

O=C(CN1C[C@H](c2ccc(OC(F)F)c(OCC3CC3)c2)CC1=O)Nc1nnc(C2CC2)s1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.43
PDE4D Q08499 4/20 0.42
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
ABCB11 O95342 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
WNT3A P56704 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
SCHEMBL4461872 0.92 ALDH1A1 (0.41) NPC1RAB9AWNT3A
SCHEMBL4461888 0.90 KMT2A (0.44) PDE4BPDE4DPDE4APDE4CNPC1
SCHEMBL4458939 0.90 KMT2A (0.44) PDE4BPDE4DPDE4APDE4CNPC1
SCHEMBL4471609 0.89 KMT2A (0.40) WNT3A
SCHEMBL8268619 0.87 NPC1 (0.40) NPC1RAB9A
SCHEMBL28772969 0.86 KMT2A (0.40) WNT3A
SCHEMBL4473637 0.86 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL4475600 0.84 PDE4B (0.41) PDE4BPDE4DPDE4APDE4C
SCHEMBL4473808 0.84 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL4460068 0.84 PDE4B (0.41) PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US claimed
CN-101166737-A Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-04-23 CN claimed
EP-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP claimed
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 claimed
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO claimed
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
CN-101166737-A Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-04-23 CN 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 PDE4B 2/4885PDE4D 9/4885PDE4A 1/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A PDE4B 5/4885PDE4D 9/4885PDE4A 1/4885

“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.