SCHEMBL3551973

SCHEMBL3551973

CCOC(=O)c1csc(NC(=O)CN2C[C@H](c3ccc(OC)c(OC4CCCO4)c3)CC2=O)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PDE4B Q07343 6/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
PDE4A P27815 6/20 0.40
ANO1 Q5XXA6 1/20 0.40
MAPK1 P28482 1/20 0.40
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 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
SCHEMBL5760899 1.00 LMNA (0.45) LMNANPSR1HSD17B10SMN1; SMN2PDE4B
SCHEMBL3542709 0.92 PDE4A (0.43) SMN1; SMN2PDE4BHPGDPDE4APDE4C
SCHEMBL5194368 0.92 PDE4A (0.43) SMN1; SMN2PDE4BHPGDPDE4APDE4C
SCHEMBL3545559 0.90 PDE4B (0.44) LMNASMN1; SMN2PDE4BHPGDTSHR
SCHEMBL3546032 0.88 ALDH1A1 (0.42) HSD17B10SMN1; SMN2PDE4BHPGDPOLB
SCHEMBL3543224 0.87 PDE4B (0.42) SMN1; SMN2PDE4BPDE4APDE4CPDE4D
SCHEMBL3551578 0.86 HPGD (0.47) LMNANPSR1HSD17B10PDE4BHPGD
SCHEMBL3553153 0.86 HPGD (0.47) LMNAHSD17B10SMN1; SMN2PDE4BHPGD
SCHEMBL5197691 0.85 NPC1 (0.45) LMNAHSD17B10SMN1; SMN2PDE4BHPGD
SCHEMBL3551105 0.85 NPC1 (0.45) LMNAHSD17B10SMN1; SMN2PDE4BHPGD

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 11 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
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
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 LMNA 2768/4885NPSR1 1312/4885HSD17B10 431/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 LMNA 3558/4885NPSR1 645/4885HSD17B10 1561/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A LMNA 2697/4885NPSR1 1651/4885HSD17B10 418/4885

“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.