SCHEMBL852023

SCHEMBL852023

CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc(F)c(Oc3ccc(C#N)cc3)nc2Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.40
CHRM1 P11229 3/20 0.40
CHRM4 P08173 9/20 0.39
PRKAA2 P54646 2/20 0.38
HSD11B1 P28845 1/20 0.37
POLB P06746 1/20 0.37
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
MGLL Q99685 1/20 0.36
SCN9A Q15858 1/20 0.36
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35

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
SCHEMBL851777 0.85 F10 (0.48) CHRM2CHRM1CHRM4PRKAA2POLB
SCHEMBL862041 0.85 F10 (0.48) CHRM2CHRM1CHRM4PRKAA2POLB
SCHEMBL851402 0.80 F10 (0.53) CHRM2CHRM4PRKAA2POLBSCN9A
SCHEMBL851176 0.80 F10 (0.49) CHRM2CHRM4PRKAA2POLBSCN9A
SCHEMBL851914 0.78 PRSS1 (0.50) CHRM4PRKAA2SCN9AF10PRSS1
SCHEMBL851532 0.76 PRSS1 (0.51) CHRM2CHRM4PRKAA2SCN9AF10
SCHEMBL3796768 0.76 F10 (0.63) HSD11B1MGLLF10PRSS1PRSS2
SCHEMBL850978 0.75 F10 (0.43) SCN9AF10
SCHEMBL851547 0.74 KDM4E (0.47) POLBSCN9AF10
SCHEMBL851248 0.74 F10 (0.51) HSD11B1POLBMGLLF10PRSS1

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 CHRM2 4304/4885CHRM1 3274/4885CHRM4 4725/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 CHRM2 4304/4885CHRM1 3274/4885CHRM4 4725/4885

“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.