SCHEMBL851208

SCHEMBL851208

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(Oc3ccc(C#N)cc3)nc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.53
HDAC4 P56524 2/20 0.49
ST14 Q9Y5Y6 3/20 0.47
F2 P00734 2/20 0.47
F10 P00742 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
PLG P00747 1/20 0.47
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NSD2 O96028 1/20 0.44
POLB P06746 1/20 0.44
USP30 Q70CQ3 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL851673 0.91 GPR119 (0.57) GPR119HDAC4ST14F2PRSS1
SCHEMBL851689 0.87 F2 (0.52) ST14F2F10PRSS1PRSS2
SCHEMBL851645 0.85 F2 (0.52) GPR119HDAC4ST14F2F10
SCHEMBL851643 0.83 F2 (0.55) ST14F2F10PRSS1PRSS2
SCHEMBL8511755 0.80 F2 (0.54) ST14F2F10PRSS1PRSS2
SCHEMBL851653 0.78 ST14 (0.74) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851532 0.77 PRSS1 (0.51) GPR119ST14F2F10PRSS1
SCHEMBL851530 0.76 ST14 (0.52) ST14F2PRSS1PRSS2PRSS3
SCHEMBL518161 0.76 PRKAA2 (0.73) GPR119
SCHEMBL2388757 0.76 PRKAA2 (0.68) GPR119

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
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 GPR119 3130/4885HDAC4 1757/4885ST14 216/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 GPR119 3130/4885HDAC4 1757/4885ST14 216/4885

“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.