SCHEMBL5623979

SCHEMBL5623979

CCn1nnc(-c2ccc(C3=N[C@@H]4CC[C@@H](O)C[C@@H]4c4cc(OCC(F)F)c(OC)cc43)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
TRPV1 Q8NER1 2/20 0.35
AOC3 Q16853 2/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
PDE10A Q9Y233 1/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
USP2 O75604 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5621856 1.00 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CTRPV1
SCHEMBL5502702 0.91 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CTRPV1
SCHEMBL5507773 0.91 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CTRPV1
SCHEMBL5509306 0.86 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CTRPV1
SCHEMBL5507093 0.86 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CTRPV1
SCHEMBL5508965 0.86 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CTRPV1
SCHEMBL5483281 0.84 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL5063164 0.83 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL2887805 0.81 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CTRPV1
SCHEMBL2889725 0.81 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CTRPV1

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-20070191413-A1 Novel heterocycle-substituted hydroxy-6-phenylphenanthridines and their use as pde4 inhibitors ATLANTA PHARMA AG (DE) 2007-08-16 US claimed
US-20070191413-A1 Novel heterocycle-substituted hydroxy-6-phenylphenanthridines and their use as pde4 inhibitors ATLANTA PHARMA AG (DE) 2007-08-16 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-20070191413-A1 Novel heterocycle-substituted hydroxy-6-phenylphenanthridines and their use as pde4 inhibitors PDE4A, PDE4B, PDE4C 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.