SCHEMBL3554997

SCHEMBL3554997

CCOc1cc2c(cc1OC)C(c1ccc(C(=O)O)cc1)=N[C@@H]1CCN(C)C[C@H]21.CCOc1cc2c(cc1OC)C(c1ccc(C(=O)O)cc1)=N[C@@H]1CCN(C)C[C@H]21

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.81
PDE4A P27815 4/20 0.81
PDE4B Q07343 4/20 0.81
PDE4C Q08493 4/20 0.81
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
SSTR5 P35346 5/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
CHEK1 O14757 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6440046 1.00 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CTSHR
SCHEMBL5510164 1.00 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CTSHR
SCHEMBL3555816 1.00 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CTSHR
Hydrochloric Acid SCHEMBL3555873 0.99 PDE4D (0.80) PDE4DPDE4APDE4BPDE4CTSHR
Hydrochloric Acid SCHEMBL3555869 0.99 PDE4D (0.80) PDE4DPDE4APDE4BPDE4CTSHR
SCHEMBL13658117 0.94 PDE4D (0.80) PDE4DPDE4APDE4BPDE4CTSHR
SCHEMBL6440437 0.93 PDE4D (0.79) PDE4DPDE4APDE4BPDE4CTSHR
SCHEMBL3551034 0.93 PDE4D (0.79) PDE4DPDE4APDE4BPDE4CTSHR
Hydrochloric Acid SCHEMBL7207684 0.92 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CTSHR
Hydrochloric Acid SCHEMBL7207679 0.92 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671068-B2 N-(alkoxyalkyl) carbamoyl-substituted 6-phenyl-benzonaphthyridine derivatives and their use as PDE ¾ inhibitors NYCOMED GMBH (DE) 2010-03-02 US disclosed
US-20070208051-A1 Novel N-(Alkoxyalkyl) Carbamoyl-Substituted 6-Phenyl-Benzonaphthyridine Derivatives and their Use as Pde 3/4 Inhibitors ALTANA PHARMA AG (DE) 2007-09-06 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 (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-20070208051-A1 Novel N-(Alkoxyalkyl) Carbamoyl-Substituted 6-Phenyl-Benzonaphthyridine Derivatives and their Use as Pde 3/4 Inhibitors PDE3A, PDE4A, PDE5A PDE4D 7/4885PDE4A 2/4885PDE4B 6/4885

“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.