SCHEMBL851643

SCHEMBL851643

CC(C)(C)OC(=O)NCCCN1CCC(NC(=O)c2cc(Oc3ccc(C#N)cc3)nc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.55
ST14 Q9Y5Y6 4/20 0.55
F10 P00742 2/20 0.55
PRKAA2 P54646 3/20 0.51
HRH2 P25021 3/20 0.49
HRH1 P35367 3/20 0.49
POLB P06746 1/20 0.47
SCN9A Q15858 3/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
KCNA3 P22001 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
DRD2 P14416 1/20 0.43
CCR3 P51677 1/20 0.42

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
SCHEMBL851830 0.92 ST14 (0.54) F2ST14F10PRKAA2HRH2
SCHEMBL851338 0.87 ST14 (0.74) F2ST14F10POLBPRSS1
SCHEMBL851302 0.87 F2 (0.45) F2ST14F10PRKAA2HRH2
SCHEMBL851437 0.86 ST14 (0.61) F2ST14F10PRKAA2HRH2
SCHEMBL851689 0.84 F2 (0.52) F2ST14F10SCN9APRSS1
SCHEMBL860982 0.84 F2 (0.58) F2ST14F10PRKAA2HRH2
SCHEMBL851208 0.83 GPR119 (0.53) F2ST14F10POLBPRSS1
SCHEMBL851532 0.78 PRSS1 (0.51) F2ST14F10PRKAA2SCN9A
SCHEMBL851823 0.77 CCNC (0.56) PRKAA2HRH2HRH1SCN9ACCNC
SCHEMBL1714536 0.77 HRH2 (0.60) HRH2HRH1KCNA3DRD2

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 112/4885ST14 216/4885F10 152/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F2 112/4885ST14 216/4885F10 152/4885

“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.