SCHEMBL3544097

SCHEMBL3544097

COc1ccc([C@@H]2CC(=O)N(CCOc3nc4ccccc4s3)C2)cc1OC1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.46
PDE4B Q07343 9/20 0.43
PDE4C Q08493 7/20 0.43
PDE4D Q08499 7/20 0.43
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
BLM P54132 1/20 0.36

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
SCHEMBL5197547 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL3545566 0.86 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL5762460 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL5760783 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL4462030 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5757225 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3545725 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5194511 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL3551154 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5757932 0.79 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696198-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 US claimed
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
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 PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 PDE4A 1/4885PDE4B 2/4885PDE4C 8/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885

“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.