SCHEMBL2890083

SCHEMBL2890083

COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1N=C2c1ccc(OC)c(N2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.43
PDE4A P27815 12/20 0.42
PDE4B Q07343 11/20 0.42
PDE4C Q08493 11/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MEN1 O00255 1/20 0.39
CHRM1 P11229 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3A Q14432 1/20 0.39
SMPD3 Q9NY59 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL5734370 0.85 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CTNKS
SCHEMBL2887299 0.84 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CTNKS
SCHEMBL2889672 0.84 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CTNKS
SCHEMBL2889671 0.84 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CTNKS
SCHEMBL5733765 0.82 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL2887619 0.81 PDE4A (0.50) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL2887615 0.81 PDE4A (0.50) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL2887622 0.81 PDE4A (0.50) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL2889035 0.80 PDE4A (0.49) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL5972857 0.79 MAPK10 (0.43) PDE4DPDE4APDE4BPDE4CMEN1

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 5 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
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
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 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-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus PDE4A, PDE4B, PDE12 PDE4D 4/4885PDE4A 1/4885PDE4B 2/4885

“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.