SCHEMBL5456023

SCHEMBL5456023

COc1ccc(-c2ccn(C(C)C)n2)cc1OC1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.44
PDE4D Q08499 8/20 0.39
PDE4A P27815 7/20 0.39
PDE4C Q08493 3/20 0.39
PDE3B Q13370 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PI4KB Q9UBF8 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
SCHEMBL4180651 0.83 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL3599356 0.82 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CSMN1; SMN2
SCHEMBL3600833 0.81 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL5793483 0.80 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CNPC1
SCHEMBL3610448 0.80 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL3605765 0.80 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CNPC1
SCHEMBL3607568 0.79 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL3602184 0.79 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL3607400 0.78 PDE4A (0.42) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL4473391 0.77 PDE4B (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US claimed

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-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PDE4B 2/4885PDE4D 6/4885PDE4A 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.