SCHEMBL3547736

SCHEMBL3547736

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nc4c(OC)cccc4s3)C2)cc1OC1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.42
PDE4B Q07343 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
DYRK1A Q13627 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PPARG P37231 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
BCHE P06276 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
SCHEMBL3550608 0.94 SMN1; SMN2 (0.46) PDE4APDE4BSMN1; SMN2TP53LMNA
SCHEMBL3539970 0.89 POLB (0.43) PDE4APDE4BSMN1; SMN2TP53NPC1
SCHEMBL3544917 0.87 NPC1 (0.51) KDM4ENPC1RAB9AALDH1A1KMT2A
SCHEMBL3548167 0.87 SMN1; SMN2 (0.46) PDE4APDE4BSMN1; SMN2TP53LMNA
SCHEMBL5790335 0.86 CLK1 (0.46) PDE4APDE4BSMN1; SMN2NPC1RAB9A
SCHEMBL3546643 0.86 CLK1 (0.46) PDE4APDE4BSMN1; SMN2NPC1RAB9A
SCHEMBL4460585 0.85 SMN1; SMN2 (0.47) PDE4APDE4BSMN1; SMN2DYRK1ATP53
SCHEMBL3540503 0.84 PDE4B (0.44) PDE4APDE4BSMN1; SMN2NPC1RAB9A
SCHEMBL3545559 0.84 PDE4B (0.44) PDE4APDE4BSMN1; SMN2LMNAKDM4E
SCHEMBL3539484 0.84 MEN1 (0.43) PDE4APDE4BSMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US claimed
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
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
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US 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 (3 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-20050026913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B PDE4A 1/4885PDE4B 5/4885SMN1; SMN2 2104/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 PDE4A 1/4885PDE4B 2/4885SMN1; SMN2 754/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A PDE4A 1/4885PDE4B 5/4885SMN1; SMN2 2959/4885

“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.