SCHEMBL871687

SCHEMBL871687

CC(C)NCCCc1ccc(-c2cccc(-n3c(=O)n(C4CCC(NC(=O)c5cn6cc(F)ccc6n5)CC4)c(=O)c4cc(F)cnc43)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.47
CNR2 P34972 4/20 0.36
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HPGDS O60760 1/20 0.34
CNR1 P21554 2/20 0.33

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
SCHEMBL871686 1.00 PDE4B (0.47) PDE4BCNR2PDE4APDE4CPDE4D
SCHEMBL870236 0.96 PDE4B (0.48) PDE4BCNR2PDE4APDE4CPDE4D
SCHEMBL870235 0.96 PDE4B (0.48) PDE4BCNR2PDE4APDE4CPDE4D
SCHEMBL3018298 0.94 PDE4B (0.47) PDE4BCNR2PDE4APDE4CPDE4D
SCHEMBL870121 0.94 PDE4B (0.47) PDE4BCNR2PDE4APDE4CPDE4D
SCHEMBL870828 0.92 PDE4B (0.46) PDE4BCNR2PDE4APDE4CPDE4D
SCHEMBL870827 0.92 PDE4B (0.46) PDE4BCNR2PDE4APDE4CPDE4D
SCHEMBL870430 0.91 PDE4B (0.48) PDE4BCNR2PDE4APDE4CPDE4D
SCHEMBL870429 0.91 PDE4B (0.48) PDE4BCNR2PDE4APDE4CPDE4D
SCHEMBL871798 0.91 PDE4B (0.47) PDE4BCNR2HPGDSCNR1

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
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 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 (2 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CNR2 2229/4885PDE4A 1/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CNR2 2229/4885PDE4A 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.