SCHEMBL3550316

SCHEMBL3550316

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(C(C)C)s3)C2)cc1OC1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.45
PDE4A P27815 8/20 0.42
PDE4B Q07343 6/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3539484 0.90 MEN1 (0.43) PDE4APDE4BALDH1A1PDE4CPDE4D
SCHEMBL3548409 0.89 PDE4A (0.42) PDE4APDE4BALDH1A1PDE4CPDE4D
SCHEMBL3544869 0.89 PDE4A (0.43) PDE4APDE4BALDH1A1PDE4CPDE4D
SCHEMBL3549157 0.89 CYP2C9 (0.43) CYP2C9PDE4APDE4BALDH1A1PDE4C
SCHEMBL3547192 0.89 ALDH1A1 (0.44) PDE4APDE4BNPSR1ALDH1A1PDE4C
SCHEMBL3549450 0.89 HSD17B10 (0.49) LMNAPDE4APDE4BALDH1A1PDE4C
SCHEMBL3548446 0.89 ALDH1A1 (0.44) PDE4APDE4BALDH1A1PDE4CPDE4D
SCHEMBL3551163 0.87 ALDH1A1 (0.49) PDE4APDE4BNPSR1ALDH1A1PDE4C
SCHEMBL3543785 0.87 ALDH1A1 (0.44) PDE4APDE4BALDH1A1PDE4CPDE4D
SCHEMBL3550620 0.87 PDE4A (0.41) PDE4APDE4BALDH1A1PDE4CPDE4D

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
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
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
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 CYP2C9 404/4885PKM 123/4885LMNA 2768/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 CYP2C9 321/4885PKM 421/4885LMNA 3558/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A CYP2C9 487/4885PKM 494/4885LMNA 2697/4885

“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.