SCHEMBL6307929

SCHEMBL6307929

Cc1cc2c3c(c1)C(c1ccccc1)=NC(NC(=O)c1ccncc1)C(=O)N3CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 1.00
PDE4B Q07343 20/20 1.00
PDE4C Q08493 20/20 1.00
PDE4D Q08499 20/20 1.00
PDE3B Q13370 14/20 1.00
PDE3A Q14432 14/20 1.00
PDE5A O76074 8/20 1.00
PDE1A P54750 8/20 1.00
PDE1B Q01064 8/20 1.00
PDE1C Q14123 8/20 1.00

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
SCHEMBL185627 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20756030 0.91 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5607953 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7160159 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7495374 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7818726 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7682562 0.88 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7673788 0.88 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7491632 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7491635 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11439627-B2 Pharmaceutical composition for the treatment of autism Stalicla S.A. (CH) 2022-09-13 US claimed
EP-0785789-B1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS PFIZER (FR) 2002-09-11 EP claimed
WO-2001015678-A2 TOPICAL USE OF KAPPA OPIOID AGONISTS TO TREAT OTIC PAIN ALCON LABORATORIES, INC. (US) 2001-03-08 WO claimed
US-6174878-B1 OR INTRANASAL COMPOSITION E.G., ASIMADOLINE (EMD-61753), ENADOLINE, BENZENEACETAMIDE, AS AN ANALGESIC FOR EAR INFECTION, SWIMMER'S EAR, ETC.; ACTIVATION OF SPECIFIC RECEPTORS SO NO SIDE EFFECTS ALCON LABORATORIES, INC. 2001-01-16 US claimed
EP-3498297-B1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM STALICLA S A (CH) 2023-06-21 EP disclosed
US-11439627-B2 Pharmaceutical composition for the treatment of autism Stalicla S.A. (CH) 2022-09-13 US disclosed
EP-3984555-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2022-04-20 EP disclosed
EP-3785733-B1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM STALICLA S A (CH) 2022-01-05 EP disclosed
US-20210154177-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2021-05-27 US disclosed
US-20210145803-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2021-05-20 US disclosed
US-10940140-B2 Pharmaceutical composition for the treatment of autism Stalicla S.A. (CH) 2021-03-09 US disclosed
EP-3785733-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2021-03-03 EP disclosed
EP-3498297-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2019-06-19 EP disclosed
US-20190134011-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2019-05-09 US disclosed
US-6878821-B2 Contacting with oxidizing agent and fluorinated alcohol WARNER-LAMBERT LLC (US) 2005-04-12 US disclosed
WO-2004067006-A1 COMBINATION OF A PDE IV INHIBITOR AND A TNF-ALPHA ANTAGONIST PHARMACIA CORPORATION (US) 2004-08-12 WO disclosed
US-20030176723-A1 Modifying chemoselectivity during oxidation of nitrogen compounds BERNADELLI PATRICK (FR) 2003-09-18 US disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
US-6365585-B1 USED AS ANTI-INFLAMMATORIES, ANTI-ALLERGICS, BRONCHODILATORS OR ANTI-ASTHMATICS AND ARE DEVOID OF DIGESTIVE OR CARDIAC SIDE-EFFECTS WARNER-LAMBERT COMPANY 2002-04-02 US disclosed
WO-2001015678-A2 TOPICAL USE OF KAPPA OPIOID AGONISTS TO TREAT OTIC PAIN ALCON LABORATORIES, INC. (US) 2001-03-08 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 (1 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-20030176723-A1 Modifying chemoselectivity during oxidation of nitrogen compounds NOX3, NOX1, NOX5 PDE4A 4297/4885PDE4B 4275/4885PDE4C 4219/4885

“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.