SCHEMBL4544198

SCHEMBL4544198

O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)cc1OCC1CC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.71
PDE4D Q08499 17/20 0.71
PDE4A P27815 12/20 0.71
PDE4C Q08493 11/20 0.71
ABCB11 O95342 1/20 0.71
GFER P55789 1/20 0.45

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
SCHEMBL16650057 0.86 PDE4A (0.53) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2518447 0.84 PDE4D (0.66) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL6571713 0.83 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL18095182 0.83 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2887750 0.83 PDE4B (0.92) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30084829 0.83 PDE4B (0.92) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29349467 0.83 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL19158 0.83 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2456573 0.82 PDE4B (0.69) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5796349 0.82 PDE4B (0.69) 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

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053350-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2013-02-28 US claimed
EP-1506016-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA Pharma AG (DE) 2005-02-16 EP claimed
WO-2003094967-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-11-20 WO claimed
US-6528527-B2 N-(3,5-dichloropyrid-4-yl)-3-cyclopropylmethoxy-4-difluoromethoxybenzamide or the pyridyl-N-oxide thereof MERCK & CO., INC. 2003-03-04 US claimed
WO-2002038155-A1 METHOD OF TREATMENT WITH A COMBINATION OF A PDE4 INHIBITOR AND A LEUKOTRIENE ANTAGONIST MERCK & CO., INC. (US) 2002-05-16 WO claimed
US-20020055520-A1 Method of treatment with a combination of a PDE4 inhibitor and a leukotriene antagonist MERCK SHARP & DOHME CORP. 2002-05-09 US claimed
WO-2023110673-A1 PHOSPHODIESTERASES INHIBITORS TO PROMOTE IN VITRO PLANT CELL REPROGRAMMING TOWARDS PLANT EMBRYOGENESIS OR MICROCALLUS FORMATION CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2023-06-22 WO disclosed
WO-2012168907-A1 PHARMACEUTICAL COMPOSITION COMPRISING REVAMILAST AND MONTELUKAST OR ZAFIRLUKAST GLENMARK PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed
US-20090209599-A1 Eye drop containing roflumilast SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209599-A1 Eye drop containing roflumilast SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-20090186896-A1 PDE Inhibitors and Combinations Thereof for the Treatment of Urological Disorders BAYER HEALTHCARE AG (DE) 2009-07-23 US disclosed
EP-1889620-A1 EYE DROP CONTAINING ROFLUMILAST Santen Pharmaceutical Co., Ltd (JP) 2008-02-20 EP disclosed
US-6528527-B2 N-(3,5-dichloropyrid-4-yl)-3-cyclopropylmethoxy-4-difluoromethoxybenzamide or the pyridyl-N-oxide thereof MERCK & CO., INC. 2003-03-04 US disclosed
US-6528527-B2 N-(3,5-dichloropyrid-4-yl)-3-cyclopropylmethoxy-4-difluoromethoxybenzamide or the pyridyl-N-oxide thereof MERCK & CO., INC. 2003-03-04 US disclosed
WO-2002038155-A1 METHOD OF TREATMENT WITH A COMBINATION OF A PDE4 INHIBITOR AND A LEUKOTRIENE ANTAGONIST MERCK & CO., INC. (US) 2002-05-16 WO disclosed
WO-2002038155-A1 METHOD OF TREATMENT WITH A COMBINATION OF A PDE4 INHIBITOR AND A LEUKOTRIENE ANTAGONIST MERCK & CO., INC. (US) 2002-05-16 WO disclosed
US-20020055520-A1 Method of treatment with a combination of a PDE4 inhibitor and a leukotriene antagonist MERCK SHARP & DOHME CORP. 2002-05-09 US disclosed
US-20020055520-A1 Method of treatment with a combination of a PDE4 inhibitor and a leukotriene antagonist MERCK SHARP & DOHME CORP. 2002-05-09 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-20130053350-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PPARD, PPARG, PPARA PDE4B 676/4885PDE4D 753/4885PDE4A 492/4885
US-20020055520-A1 Method of treatment with a combination of a PDE4 inhibitor and a leukotriene antagonist PDE4A, PDE4B, LTA4H PDE4B 2/4885PDE4D 8/4885PDE4A 1/4885
US-20090209599-A1 Eye drop containing roflumilast PDE6A, PDE6D, PLAT PDE4B 71/4885PDE4D 53/4885PDE4A 78/4885

“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.