SCHEMBL852002

SCHEMBL852002

CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc(O)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
PRKAA2 P54646 3/20 0.43
GPR119 Q8TDV5 2/20 0.42
NAMPT P43490 1/20 0.42
SCN9A Q15858 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40
DRD2 P14416 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CHRM4 P08173 3/20 0.40
MGLL Q99685 2/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL851914 0.95 PRSS1 (0.50) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851681 0.91 PRKAA2 (0.45) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851247 0.91 F2 (0.46) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851120 0.90 PRKAA2 (0.47) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851532 0.89 PRSS1 (0.51) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851687 0.89 PRSS1 (0.46) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851102 0.87 F2 (0.42) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851246 0.87 PRSS1 (0.45) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851136 0.86 PRKAA2 (0.47) PRKAA2GPR119NAMPTMAOAACHE
SCHEMBL852428 0.86 CHRM4 (0.43) F2PRSS1PRSS2PRSS3ST14

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 F2 112/4885PRSS1 3/4885PRSS2 23/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F2 112/4885PRSS1 3/4885PRSS2 23/4885

“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.