SCHEMBL84865

SCHEMBL84865

CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 1.00
PDE4B Q07343 20/20 1.00
PDE4D Q08499 20/20 1.00
PDE4C Q08493 19/20 1.00
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52

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
SCHEMBL7398485 0.98 PDE4A (0.96) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL14473027 0.93 PDE4A (0.86) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL14455896 0.91 PDE4A (0.84) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7395757 0.86 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7400689 0.81 PDE4A (0.81) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7369182 0.80 PDE4A (0.67) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7401440 0.79 PDE4A (0.79) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7369940 0.78 PDE4A (0.80) PDE4APDE4BPDE4DPDE4C
SCHEMBL7374697 0.77 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7376577 0.77 PDE4A (1.00) PDE4APDE4BPDE4DPDE4C

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0707585-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1996-04-24 EP claimed
WO-1995001980-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1995-01-19 WO claimed
US-8399466-B2 Composition for regenerative treatment of cartilage disease MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-03-19 US disclosed
US-8399466-B2 Composition for regenerative treatment of cartilage disease MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-03-19 US disclosed
US-8252794-B2 Composition for regenerative treatment of cartilage disease MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-28 US disclosed
US-8252794-B2 Composition for regenerative treatment of cartilage disease MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-28 US disclosed
US-8129401-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2012-03-06 US disclosed
US-8129401-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2012-03-06 US disclosed
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2011-08-04 US disclosed
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2011-08-04 US disclosed
WO-2004089940-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (US) 2004-10-21 WO disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO disclosed
WO-2004022536-A1 NEW HETEROCYCLIC AMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (US) 2004-03-18 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
WO-2001015678-A2 TOPICAL USE OF KAPPA OPIOID AGONISTS TO TREAT OTIC PAIN ALCON LABORATORIES, INC. (US) 2001-03-08 WO disclosed
EP-0707585-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1996-04-24 EP disclosed
WO-1995001980-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1995-01-19 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-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A PDE4A 3/4885PDE4B 6/4885PDE4D 10/4885

“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.