SCHEMBL5127385

SCHEMBL5127385

COc1cc2c(cc1OCC(F)F)C1CCCCC1N=C2c1cncnc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
KCNH2 Q12809 2/20 0.34
CYP2D6 P10635 1/20 0.34
GRIN2B Q13224 1/20 0.34
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.31
CHRM1 P11229 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE3A Q14432 1/20 0.31
FPR2 P25090 3/20 0.30
CHEK1 O14757 1/20 0.30
ROCK2 O75116 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL5129856 1.00 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL5120066 0.90 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL5120014 0.90 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL5112965 0.88 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL5127398 0.88 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL5121327 0.88 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL5118222 0.88 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL5118156 0.87 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL5129834 0.86 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL5118250 0.83 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167316-A1 6-Heteroaryl-1,2,3,4,4A, 10B-Hexahydrophenanthridines as Pde4-Inhibitors for the Treatment of Inflammatory Disorders ALTANA PHARMA AG (DE) 2008-07-10 US disclosed
EP-1856092-A1 6-HETEROARYL-1,2,3,4,4A,10B-HEXAHYDRO-PHENANTHRIDINES AS PDE-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Nycomed GmbH (DE) 2007-11-21 EP disclosed
WO-2006092417-A1 6 -HETEROARYL-1, 2, 3,4,4A, 1OB-HEXAHYDRO-PHENANTHRIDINES AS PDE-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISORDERS NYCOMED GMBH (DE) 2006-09-08 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 (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-20080167316-A1 6-Heteroaryl-1,2,3,4,4A, 10B-Hexahydrophenanthridines as Pde4-Inhibitors for the Treatment of Inflammatory Disorders PDE4A, PDE4B, PDE4C PDE4D 6/4885PDE4A 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.