SCHEMBL1980796

SCHEMBL1980796

COc1ccc(-c2ccc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.53
TLR8 Q9NR97 1/20 0.53
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PDE4B Q07343 3/20 0.51
PIK3CD O00329 2/20 0.50
PIK3CA P42336 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CG P48736 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ABCB1 P08183 2/20 0.48
SMPD3 Q9NY59 2/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
MMP13 P45452 1/20 0.46
CFTR P13569 1/20 0.45

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
SCHEMBL27878434 0.85 ABCB1 (0.46) TLR7TLR8PIK3CDPIK3CAPIK3CB
SCHEMBL1980646 0.81 KDM4E (0.55) HTTMEN1KMT2APDE4BKDM4E
SCHEMBL1466005 0.81 MAPT (0.55) HTTMEN1KMT2APDE4BKDM4E
SCHEMBL17092646 0.81 MAPT (0.52) HTTMEN1KMT2APDE4BKDM4E
SCHEMBL16306756 0.81 KDM4E (0.54) HTTMEN1KMT2APDE4BKDM4E
SCHEMBL3141500 0.80 KDM4E (0.58) HTTMEN1KMT2AKDM4EMAPT
SCHEMBL12058890 0.80 MAPT (0.53) HTTMEN1KMT2AKDM4EMAPT
SCHEMBL21060500 0.79 TLR7 (0.50) TLR7TLR8HTTMEN1KMT2A
SCHEMBL21060094 0.78 TLR7 (0.60) TLR7TLR8HTTMEN1KMT2A
SCHEMBL30560785 0.78 TLR7 (0.60) TLR7TLR8HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513054-B1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8552032-B2 Bicyclic derivatives useful as inhibitors of DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-10-08 US disclosed
EP-2513054-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA (BE) 2011-06-23 US disclosed
WO-2011075634-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 DPP4, DPP7, DPP3 TLR7 4146/4885TLR8 2997/4885HTT 3547/4885

“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.