SCHEMBL3553153

SCHEMBL3553153

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nc(-c4ccccc4)cs3)C2)cc1OC1CCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
PDE4A P27815 3/20 0.45
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ELOVL1 Q9BW60 1/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
PDE4B Q07343 2/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3551578 0.94 HPGD (0.47) HPGDPDE4ANPC1ALDH1A1LMNA
SCHEMBL3547557 0.93 HPGD (0.45) HPGDPDE4ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3547724 0.93 HPGD (0.48) HPGDNPC1ALDH1A1LMNAMAPK1
SCHEMBL3551513 0.91 ALDH1A1 (0.47) HPGDPDE4ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3542709 0.90 PDE4A (0.43) HPGDPDE4ASMN1; SMN2PDE4BPDE4C
SCHEMBL5194368 0.90 PDE4A (0.43) HPGDPDE4ASMN1; SMN2PDE4BPDE4C
SCHEMBL3545559 0.89 PDE4B (0.44) HPGDPDE4ANPC1SMN1; SMN2LMNA
SCHEMBL3546032 0.88 ALDH1A1 (0.42) HPGDPDE4ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL5760899 0.86 LMNA (0.45) HPGDPDE4ANPC1SMN1; SMN2LMNA
SCHEMBL3551973 0.86 LMNA (0.45) HPGDPDE4ANPC1SMN1; SMN2LMNA

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-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
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO 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
EP-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP disclosed
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US disclosed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 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 (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 HPGD 255/4885PDE4A 1/4885NPC1 4678/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 HPGD 384/4885PDE4A 1/4885NPC1 4611/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A HPGD 244/4885PDE4A 1/4885NPC1 4183/4885

“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.