SCHEMBL3675552

SCHEMBL3675552

COc1ccc2c(N)cc(=O)oc2c1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.60
MAOA P21397 3/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
PDE4A P27815 7/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TERT O14746 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 2/20 0.41
MCL1 Q07820 2/20 0.41

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
SCHEMBL3675535 0.89 PDE4B (0.68) PDE4BMAOACA12CA1CA2
SCHEMBL3678492 0.86 PDE4B (0.62) PDE4BMAOACA12CA1CA2
SCHEMBL3676630 0.80 PDE4B (0.60) PDE4BMAOAPDE4APDE4CPDE4D
SCHEMBL3679926 0.80 PDE4B (0.48) PDE4BMAOAPDE4APDE4CPDE4D
SCHEMBL3672393 0.78 PDE4B (0.61) PDE4BMAOAPDE4APDE4CPDE4D
SCHEMBL3672452 0.78 PDE4B (0.73) PDE4BMAOAPDE4APDE4CPDE4D
SCHEMBL3675674 0.78 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL3680200 0.78 ALPL (0.52) PDE4BMAOACA12CA1CA2
SCHEMBL3678364 0.77 PDE4B (0.59) PDE4BMAOAPDE4APDE4CPDE4D
SCHEMBL3678361 0.77 PDE4B (0.59) PDE4BMAOAPDE4APDE4CPDE4D

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-7745646-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2010-06-29 US disclosed
US-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven (US) 2008-01-31 US disclosed
WO-2008006051-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 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-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885MAOA 339/4885CA12 3807/4885

“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.