SCHEMBL852428

SCHEMBL852428

CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc(OCCc3ccccc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.43
PRKAA2 P54646 2/20 0.43
KCNA5 P22460 1/20 0.42
NAMPT P43490 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM1 P11229 1/20 0.41
YAP1 P46937 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
KCNH2 Q12809 1/20 0.40
CXCR3 P49682 1/20 0.40

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
SCHEMBL851120 0.91 PRKAA2 (0.47) PRKAA2KCNA5NAMPTF2PRSS1
SCHEMBL851914 0.90 PRSS1 (0.50) CHRM4PRKAA2NAMPTF2PRSS1
SCHEMBL851681 0.88 PRKAA2 (0.45) CHRM4PRKAA2F2PRSS1PRSS2
SCHEMBL851102 0.88 F2 (0.42) CHRM4PRKAA2NAMPTF2PRSS1
SCHEMBL851247 0.87 F2 (0.46) CHRM4PRKAA2NAMPTF2PRSS1
SCHEMBL861558 0.86 F2 (0.41) PRKAA2KCNA5NAMPTF2PRSS1
SCHEMBL852002 0.86 F2 (0.46) CHRM4PRKAA2NAMPTF2PRSS1
SCHEMBL851136 0.84 PRKAA2 (0.47) CHRM4PRKAA2NAMPTYAP1CCNC
SCHEMBL851532 0.83 PRSS1 (0.51) CHRM4PRKAA2NAMPTF2PRSS1
SCHEMBL851266 0.82 CHRM4 (0.44) CHRM4PRKAA2NAMPTCHRM2CHRM1

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 CHRM4 4725/4885PRKAA2 4478/4885KCNA5 2664/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 CHRM4 4725/4885PRKAA2 4478/4885KCNA5 2664/4885

“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.