SCHEMBL3543247

SCHEMBL3543247

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(-c4ccc5c(c4)OCO5)s3)C2)cc1OC1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 5/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 1/20 0.44
PDE4A P27815 6/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3551163 0.90 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ERAB9APDE4A
SCHEMBL3543785 0.89 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ERAB9APDE4A
SCHEMBL3553663 0.86 TSHR (0.60) ALDH1A1MAPK1TSHRPDE4APDE4B
SCHEMBL3539484 0.86 MEN1 (0.43) ALDH1A1TSHRPDE4APDE4BPDE4C
SCHEMBL3544869 0.85 PDE4A (0.43) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL3548409 0.85 PDE4A (0.42) ALDH1A1MAPK1PDE4APDE4BPDE4C
SCHEMBL3541579 0.85 PDE4A (0.39) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL3545504 0.85 HPGD (0.44) ALDH1A1HPGDKDM4ERAB9APDE4A
SCHEMBL3550316 0.84 CYP2C9 (0.45) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL3547192 0.84 ALDH1A1 (0.44) ALDH1A1PDE4APDE4BPDE4CPDE4D

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
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 ALDH1A1 132/4885HPGD 255/4885MAPK1 1420/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 ALDH1A1 448/4885HPGD 384/4885MAPK1 1212/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A ALDH1A1 395/4885HPGD 244/4885MAPK1 1621/4885

“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.