SCHEMBL2887679

SCHEMBL2887679

COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1N=C2c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.42
PDE4D Q08499 15/20 0.42
PDE4A P27815 3/20 0.42
PDE4C Q08493 3/20 0.42
SRC P12931 1/20 0.39
TGFBR1 P36897 1/20 0.39
PDE5A O76074 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2887681 1.00 PDE4B (0.42) PDE4BPDE4DPDE4APDE4CSRC
SCHEMBL2887676 1.00 PDE4B (0.42) PDE4BPDE4DPDE4APDE4CSRC
SCHEMBL2887949 0.92 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CSRC
SCHEMBL2887953 0.92 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CSRC
SCHEMBL2887955 0.92 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CSRC
Hydrochloric Acid SCHEMBL5189301 0.91 PDE4D (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL2887543 0.90 PDE4D (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL2887548 0.90 PDE4D (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL2887546 0.90 PDE4D (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL5056761 0.89 PDE4D (0.42) PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus ALTANA PHARMA AG (DE) 2006-12-14 US disclosed
US-20060189641-A1 Novel 6-phenlyphenanthridines NYCOMED GMBH (DE) 2006-08-24 US disclosed
EP-1658271-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA Pharma AG (DE) 2006-05-24 EP disclosed
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
WO-2005012253-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2005-02-10 WO disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO 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 (2 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-20060189641-A1 Novel 6-phenlyphenanthridines PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 5/4885PDE4A 1/4885
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus PDE4A, PDE4B, PDE12 PDE4B 2/4885PDE4D 4/4885PDE4A 1/4885

“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.