SCHEMBL210263

SCHEMBL210263

CCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 1.00
PDE4B Q07343 17/20 1.00
PDE4D Q08499 17/20 1.00
PDE4C Q08493 16/20 1.00
ADORA3 P0DMS8 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61

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
Tofimilast SCHEMBL4914697 0.87 PDE4A (0.86) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL6839751 0.81 PDE4A (0.79) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL6052681 0.76 PDE4A (0.66) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL6358572 0.76 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
Tofimilast SCHEMBL230762 0.76 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL84865 0.67 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7374352 0.66 PDE4A (0.49) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL14455896 0.66 PDE4A (0.84) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7369320 0.65 PDE4A (0.48) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL6638544 0.65 PDE4A (0.54) PDE4APDE4BPDE4DPDE4CADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US claimed
US-20080292562-A1 Medicaments For Inhalation Comprising Pde IV Inhibitors and Enantiomerically Pure Glycopyrrolate Salts PIEPER MICHAEL P 2008-11-27 US claimed
EP-1901776-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE Boehringer Ingelheim International GmbH (DE) 2008-03-26 EP claimed
EP-1799205-A1 MEDICAMENTS FOR INHALATION COMPRISING PDE IV INHIBITORS AND ENANTIOMERCALLY PURE GLYCOPYRROLATE SALTS Boehringer Ingelheim International GmbH (DE) 2007-06-27 EP claimed
EP-1781298-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP claimed
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 US claimed
WO-2007003554-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE. BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO claimed
JP-2007500148-A 2007-01-11 JP claimed
US-20060286041-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 US claimed
US-20060270667-A1 NOVEL MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-30 US claimed
EP-1397135-A2 COMBINATION OF A PDE4 INHIBITOR AND TIOTROPIUM OR DERIVATIVE THEREOF FOR TREATING OBSTRUCTIVE AIRWAYS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-03-17 EP claimed
EP-1395288-A1 A PDE 4 INHIBITOR AND AN ANTI-CHOLINERGIC AGENT IN COMBINATION FOR TREATING OBSTRUCTIVE AIRWAYS DISEASES PFIZER INC. (US) 2004-03-10 EP claimed
EP-1048667-B1 Process for preparing 8-cyclopentyl-6-ethyl-3-(substituted)-5,8-dihydro-4H-1,2,3A,7,8-pentaaza-as-indacenes and intermediates useful therein PFIZER PROD INC (US) 2003-10-22 EP claimed
US-20030119862-A1 Pharmaceutical combination PFIZER, INC. 2003-06-26 US claimed
US-20030064031-A1 For therapy of respiratory diseases such as asthma or chronic obstructive pulmonary disease PFIZER INC. 2003-04-03 US claimed
WO-2002096423-A2 COMBINATION OF A PDE4 INHIBITOR AND TIOTROPIUM OR DERIVATE THEREOF FOR TREATING OBSTRUCTIVE AIRWAYS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-12-05 WO claimed
WO-2002096463-A1 A PDE 4 INHIBITOR AND AN ANTI-CHOLINERGIC AGENT IN COMBINATION FOR TREATING OBSTRUCTIVE AIRWAYS DISEASES PFIZER INC. (US) 2002-12-05 WO claimed
US-6326495-B2 HEATING A MIXTURE OF CAPROLACTONE AND P-METHOXYBENZYLAMINE; CYCLIZATION PFIZER INC. 2001-12-04 US claimed
US-20010039347-A1 Process for preparing 8-cyclopentyl-6-ethyl-3-[substituted]-5,8-dihydro-4h-1,2,3a,7,8-pentaaza-as-indacenes and intermediates useful therein PFIZER PRODUCTS INC. 2001-11-08 US claimed
EP-1048667-A1 Process for preparing 8-cyclopentyl-6-ethyl-3-(substituted)-5,8-dihydro-4H-1,2,3A,7,8-pentaaza-as-indacenes and intermediates useful therein Pfizer Products Inc. (US) 2000-11-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20060270667-A1 NOVEL MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES ADRB3, CHRM3, ADRB2 PDE4A 20/4885PDE4B 10/4885PDE4D 37/4885
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient ADRB2, ADRA2A, ADRB1 PDE4A 335/4885PDE4B 285/4885PDE4D 523/4885
US-20030064031-A1 For therapy of respiratory diseases such as asthma or chronic obstructive pulmonary disease TMCO1, CHRM3, IL5 PDE4A 108/4885PDE4B 135/4885PDE4D 172/4885
US-20060286041-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES ABCB1, ABCC4, ABCC1 PDE4A 687/4885PDE4B 651/4885PDE4D 1704/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 PDE4A 32/4885PDE4B 21/4885PDE4D 144/4885
US-20080292562-A1 Medicaments For Inhalation Comprising Pde IV Inhibitors and Enantiomerically Pure Glycopyrrolate Salts PDE3A, PDE3B, PDE12 PDE4A 5/4885PDE4B 7/4885PDE4D 11/4885
US-20010039347-A1 Process for preparing 8-cyclopentyl-6-ethyl-3-[substituted]-5,8-dihydro-4h-1,2,3a,7,8-pentaaza-as-indacenes and intermediates useful therein ADH1A, ADH1C, OTC PDE4A 1915/4885PDE4B 2742/4885PDE4D 3155/4885
US-20030119862-A1 Pharmaceutical combination PDE4B, PDE4A, ADRB2 PDE4A 2/4885PDE4B 1/4885PDE4D 12/4885

“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.