SCHEMBL3549160

SCHEMBL3549160

COc1ccc(OCc2nnc(NC(=O)CN3C[C@H](c4ccc(OC)c(OC5CCCO5)c4)CC3=O)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
PTPRE P23469 1/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE4B Q07343 5/20 0.41
NPC1 O15118 1/20 0.40
PDE4A P27815 6/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
GLS O94925 1/20 0.38

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
SCHEMBL3548446 0.93 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10SMN1; SMN2PDE4B
SCHEMBL3551163 0.90 ALDH1A1 (0.49) ALDH1A1HPGDNPSR1POLBSMN1; SMN2
SCHEMBL3547192 0.90 ALDH1A1 (0.44) ALDH1A1NPSR1SMN1; SMN2PDE4BPDE4A
SCHEMBL4474092 0.88 PTPRE (0.41) PTPREPOLBSMN1; SMN2PDE4BNPC1
SCHEMBL3542411 0.87 NPSR1 (0.48) ALDH1A1HPGDHSD17B10NPSR1POLB
SCHEMBL3539484 0.87 MEN1 (0.43) ALDH1A1HSD17B10POLBSMN1; SMN2PDE4B
SCHEMBL3551646 0.87 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2PDE4BPDE4A
SCHEMBL3544869 0.86 PDE4A (0.43) ALDH1A1SMN1; SMN2PDE4BPDE4APDE4C
SCHEMBL3548409 0.86 PDE4A (0.42) ALDH1A1SMN1; SMN2PDE4BPDE4APDE4C
SCHEMBL3547091 0.86 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2PDE4BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP claimed
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US claimed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO 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 ALDH1A1 132/4885HPGD 255/4885ALOX15 1985/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 ALDH1A1 448/4885HPGD 384/4885ALOX15 1143/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A ALDH1A1 395/4885HPGD 244/4885ALOX15 2754/4885

“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.