Roflumilast

Roflumilast

SCHEMBL19158

O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Roflumilast. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B known ✓ Q07343 20/20 1.00
PDE4D known ✓ Q08499 18/20 1.00
PDE4A known ✓ P27815 8/20 1.00
PDE4C known ✓ Q08493 8/20 1.00
ABCB11 O95342 1/20 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
Roflumilast SCHEMBL18095182 1.00 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29349467 1.00 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29033058 0.99 PDE4B (0.98) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29039838 0.99 PDE4B (0.98) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL28150332 0.99 PDE4B (0.98) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL20677818 0.98 PDE4B (0.96) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29191360 0.98 PDE4B (0.96) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2885525 0.96 PDE4B (0.93) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30084825 0.96 PDE4B (0.93) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2887750 0.96 PDE4B (0.92) PDE4BPDE4DPDE4APDE4CABCB11

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

Appears in 22006 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138973-A1 SUBSTITUTED PYRIDINES FOR USE IN TREATING OR PREVENTING INFLAMMATORY DISEASES OR DISEASES ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LTD (GB) 2026-05-21 US claimed
US-20260137680-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LTD (GB) 2026-05-21 US claimed
EP-4743098-A1 THERAPEUTIC USE OF FIBROBLASTS FOR THE TREATMENT OF PSORIASIS FibroBiologics, Inc. (US) 2026-05-20 EP claimed
WO-2026102437-A1 METHODS OF TREATING FRAGILE X SYNDROME USING PDE4 INHIBITORS DART NEUROSCIENCE LLC (US) 2026-05-15 WO claimed
US-20260130897-A1 METHOD FOR REDUCING SIDE EFFECTS FROM ADMINISTRATION OF PHOSPHODIESTERASE-4 INHIBITORS ARCUTIS BIOTHERAPEUTICS, INC. (US) 2026-05-14 US claimed
CN-117229211-B NO donor type roflumilast derivative, preparation method, composition and application 武汉科技大学 2026-05-12 CN claimed
US-20260128175-A1 Methods and Systems for Analysis of Gene Expression Data AMPEL BIOSOLUTIONS LLC (US) 2026-05-07 US claimed
EP-4120958-B1 IMPLANTABLE CELL CHAMBER DEVICE AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2026-04-29 EP claimed
US-20260085061-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2026-03-26 US claimed
US-20260083712-A1 METHODS FOR TREATING PATIENTS WITH OCULAR COMORBIDITIES OF AN AUTOIMMUNE DISORDER IOLYX THERAPEUTICS, INC. (US) 2026-03-26 US claimed
WO-2001013953-A2 SYNERGISTIC COMBINATION OF PDE INHIBITORS AND BETA 2 ADRENOCEPTOR AGONIST BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-01 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
US-6172060-B1 THERAPY FOR SEXUAL DISORDERS NITROMED, INC. 2001-01-09 US claimed
WO-2000066123-A1 SYNERGISTIC COMBINATION COMPRISING ROFLUMILAST AND A PDE-3 INHIBITOR BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-11-09 WO claimed
WO-2000053182-A2 3-CYCLOPROPYLMETHOXY-4-DIFLUOROMETHOXY-N-(3,5-DICHLOROPYRID-4-YL)BENZAMIDE IN THE TREATMENT OF MULTIPLE SCLEROSIS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-09-14 WO claimed
WO-2000050011-A1 CONTROLLED RELEASE FORMULATION FOR TREATING COPD SMITHKLINE BEECHAM CORPORATION (US) 2000-08-31 WO claimed
WO-2000012076-A9 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2000-08-17 WO claimed
WO-2000012076-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-03-09 WO claimed
EP-0977577-A1 COMPOSITIONS FOR THE TREATMENT OF ARDS OR IRDS CONTAINING 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-4-PYRIDINYL)-4-(DIFLUOROMETHOXY)BENZAMIDE AND LUNG SURFACTANT Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-02-09 EP claimed
WO-1998035683-A1 COMPOSITIONS FOR THE TREATMENT OF ARDS OR IRDS CONTAINING 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-4-PYRIDINYL)-4-(DIFLUOROMETHOXY)BENZAMIDE AND LUNG SURFACTANT BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-08-20 WO claimed