SCHEMBL1028814

SCHEMBL1028814

O=C(Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.71
PDE4D Q08499 18/20 0.71
PDE4A P27815 16/20 0.71
PDE4C Q08493 16/20 0.71
ABCB11 O95342 1/20 0.71

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
SCHEMBL1030283 0.87 PDE4D (0.67) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1027909 0.86 PDE4D (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL16651017 0.86 PDE4A (0.69) PDE4BPDE4DPDE4APDE4C
SCHEMBL6863990 0.84 PDE4D (0.62) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL19158 0.83 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL18095182 0.83 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29349467 0.83 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1031648 0.83 PDE4D (0.80) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29039838 0.82 PDE4B (0.98) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7340379 0.82 PDE4D (0.53) 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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166605-A1 PROCESS FOR THE PREPARATION OF A PDE4 INHIBITOR CHIESI FARMACEUTICI S.P.A. (IT) 2024-05-23 US disclosed
US-11981639-B2 Process for the preparation of a PDE4 inhibitor CHIESI FARMACEUTICI S.P.A. (IT) 2024-05-14 US disclosed
EP-3587400-B1 PROCESS FOR THE PREPARATION OF A PDE4 INHIBITOR CHIESI FARM SPA (IT) 2024-03-20 EP disclosed
US-20230310395-A1 TOPICAL ROFLUMILAST COMPOSITIONS AND USES THEREOF SOL-GEL TECHNOLOGIES LTD. (IL) 2023-10-05 US disclosed
US-11352327-B2 Process for the preparation of a PDE4 inhibitor CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-07 US disclosed
US-11352327-B2 Process for the preparation of a PDE4 inhibitor CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-07 US disclosed
EP-3798209-A1 PROCESS FOR THE PREPARATION OF A CRYSTAL FORM OF A PDE4 INHIBITOR Chiesi Farmaceutici S.p.A. (IT) 2021-03-31 EP disclosed
EP-3798209-A1 PROCESS FOR THE PREPARATION OF A CRYSTAL FORM OF A PDE4 INHIBITOR Chiesi Farmaceutici S.p.A. (IT) 2021-03-31 EP disclosed
US-20210040040-A1 PROCESS FOR THE PREPARATION OF A PDE4 INHIBITOR CHIESI FARMACEUTICI S.P.A. (IT) 2021-02-11 US disclosed
US-20210040040-A1 PROCESS FOR THE PREPARATION OF A PDE4 INHIBITOR CHIESI FARMACEUTICI S.P.A. (IT) 2021-02-11 US disclosed
US-20150051254-A1 Treatment of Cognitive Impairment With PDE4 Inhibitor UNIVERSITEIT MAASTRICHT (NL) 2015-02-19 US disclosed
US-8541456-B2 Roflumilast for the treatment of diabetes mellitus type 2 TAKEDA GMBH (DE) 2013-09-24 US disclosed
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS NYCOMED GMBH (DE) 2011-11-03 US disclosed
US-7989431-B2 4-{3-[6-Amino-9-(5-cyclopropylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-cyclohexanecarboxylic acid methyl ester; for inflammation, such as organ, tissue or cell transplantation, angioplasty (PCTA), inflammation following ischemia/reperfusion, or grafting UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-02 US disclosed
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-09 US disclosed
EP-2044023-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2011-01-19 EP disclosed
US-7671066-B2 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2010-03-02 US disclosed
EP-2044023-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2009-04-08 EP disclosed
WO-2008006509-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2008-01-17 WO disclosed
US-20080015226-A1 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A.. 2008-01-17 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 (9 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-11352327-B2 Process for the preparation of a PDE4 inhibitor PDE4A, PDE12, PDE4B PDE4B 3/4885PDE4D 8/4885PDE4A 1/4885
US-20150051254-A1 Treatment of Cognitive Impairment With PDE4 Inhibitor PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4D 3/4885PDE4A 1/4885
US-20240166605-A1 PROCESS FOR THE PREPARATION OF A PDE4 INHIBITOR PDE4A, PDE12, PDE4B PDE4B 3/4885PDE4D 8/4885PDE4A 1/4885
US-11981639-B2 Process for the preparation of a PDE4 inhibitor PDE4A, PDE12, PDE4B PDE4B 3/4885PDE4D 8/4885PDE4A 1/4885
US-20210040040-A1 PROCESS FOR THE PREPARATION OF A PDE4 INHIBITOR PDE4A, PDE12, PDE4B PDE4B 3/4885PDE4D 8/4885PDE4A 1/4885
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 PDE4B 60/4885PDE4D 58/4885PDE4A 62/4885
US-20080015226-A1 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 PDE4B 2/4885PDE4D 9/4885PDE4A 1/4885
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS PPARD, PPARA, PPARG PDE4B 68/4885PDE4D 83/4885PDE4A 46/4885
US-20230310395-A1 TOPICAL ROFLUMILAST COMPOSITIONS AND USES THEREOF MMP1, MMP3, MMP11 PDE4B 204/4885PDE4D 105/4885PDE4A 96/4885

“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.