SCHEMBL6212367

SCHEMBL6212367

C[C@H]1CC(=O)NN=C1c1ccc(-n2ccc(=O)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.71
PDE3A Q14432 15/20 0.71
PDE4A P27815 3/20 0.71
PDE4B Q07343 3/20 0.71
PDE4C Q08493 3/20 0.71
PDE4D Q08499 3/20 0.71
PDE2A O00408 2/20 0.55
PDE1A P54750 1/20 0.55
PDE1B Q01064 1/20 0.55
PDE1C Q14123 1/20 0.55
HRH3 Q9Y5N1 4/20 0.49
TNNC1 P63316 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL6212361 1.00 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6212364 1.00 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157200 0.85 PDE3B (0.73) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.84 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
Ci-930 SCHEMBL6052113 0.83 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10371742 0.83 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
Ci-930 SCHEMBL10657390 0.82 PDE3B (0.98) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10599509 0.82 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10774409 0.81 PDE3A (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10741553 0.80 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176960-B1 SYNERGISTIC COMBINATION COMPRISING ROFLUMILAST AND A PDE-3 INHIBITOR ALTANA PHARMA AG (DE) 2004-09-29 EP claimed
US-6936618-B2 Cystic fibrosis medicaments UNIVERSITY OF WALES COLLEGE OF MEDICINE (GB) 2005-08-30 US disclosed
EP-1194148-B1 TYPE V PDE-INHIBITORS FOR THE TREATMENT OF CYSTIC FIBROSIS UNIV CARDIFF (GB) 2005-03-02 EP disclosed
EP-1176960-B1 SYNERGISTIC COMBINATION COMPRISING ROFLUMILAST AND A PDE-3 INHIBITOR ALTANA PHARMA AG (DE) 2004-09-29 EP disclosed
US-20030229117-A1 Cystic fibrosis medicaments UNIVERSITY OF WALES COLLEGE OF MEDICINE (GB) 2003-12-11 US disclosed
US-6599907-B1 Type V cyclic nucleotide phosphodiesterase inhibitor UNIVERSITY OF WALES COLLEGE OF MEDICINE (GB) 2003-07-29 US disclosed
EP-1194148-A2 CYSTIC FIBROSIS MEDICAMENTS University of Wales College of Medicine (GB) 2002-04-10 EP disclosed
WO-2000064424-A2 CYSTIC FIBROSIS MEDICAMENTS UNIVERSITY OF WALES COLLEGE OF MEDICINE (GB) 2000-11-02 WO disclosed
US-5246928-A Cardiovascular disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-21 US disclosed
US-5066653-A Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-19 US disclosed
US-4906628-A N-phenylpyridone type III phosphodiesterases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-06 US disclosed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 EP 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-20030229117-A1 Cystic fibrosis medicaments CFTR, PDE3A, PDE4A PDE3B 5/4885PDE3A 2/4885PDE4A 3/4885

“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.