SCHEMBL3692133

SCHEMBL3692133

CC(C)(C)OC(=O)NC1CN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.34
HDAC6 Q9UBN7 2/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
TLR2 O60603 3/20 0.33
TLR1 Q15399 3/20 0.33
TACR1 P25103 2/20 0.33
SLC6A9 P48067 1/20 0.32
RORC P51449 1/20 0.32
HDAC4 P56524 1/20 0.32
ACLY P53396 1/20 0.31
SSTR4 P31391 3/20 0.31
SSTR1 P30872 1/20 0.31
SPTLC2 O15270 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
NTRK1 P04629 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
SCHEMBL7495706 1.00 PDE4B (0.34) PDE4BHDAC6KDM1AMAOBTLR2
SCHEMBL3690048 0.91 SLC6A9 (0.34) TLR2TLR1SLC6A9SPTLC2NTRK1
SCHEMBL7501105 0.91 SLC6A9 (0.34) TLR2TLR1SLC6A9SPTLC2NTRK1
SCHEMBL3688495 0.88 CFTR (0.37) PDE4BHDAC6RORCHDAC4ACLY
SCHEMBL3684175 0.87 SLC6A9 (0.35) PDE4BSLC6A9SPTLC2NTRK1
SCHEMBL7496196 0.87 SLC6A9 (0.35) PDE4BSLC6A9SPTLC2NTRK1
Methane SCHEMBL4452839 0.85 SLC6A9 (0.33) SLC6A9
SCHEMBL7491356 0.85 TLR2 (0.35) PDE4BTLR2TLR1TACR1
SCHEMBL3686935 0.85 TLR2 (0.35) PDE4BTLR2TLR1TACR1
SCHEMBL3786194 0.84 PARP1 (0.39) PDE4BHDAC6HDAC4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 PDE4B 2598/4885HDAC6 746/4885KDM1A 3280/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 PDE4B 2598/4885HDAC6 746/4885KDM1A 3280/4885

“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.