SCHEMBL851790

SCHEMBL851790

CC(C)(C)OC(=O)NCCC(=O)N1CCN(C(=O)c2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
SCN9A Q15858 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
SLC6A4 P31645 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
PRKAA2 P54646 2/20 0.42
TP53 P04637 1/20 0.41
CNR2 P34972 1/20 0.41
CYP11B2 P19099 2/20 0.40
KCNA5 P22460 1/20 0.40
CYP11B1 P15538 1/20 0.40
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 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
SCHEMBL851414 0.89 CCNC (0.50) SIGMAR1CCNCCDK8SCN9AHRH3
SCHEMBL851823 0.87 CCNC (0.56) SIGMAR1CCNCCDK8SCN9AHRH3
SCHEMBL851914 0.86 PRSS1 (0.50) CCNCCDK8SCN9AHRH3SLC6A4
SCHEMBL8509553 0.83 F2 (0.52) SIGMAR1PRKAA2
SCHEMBL852002 0.82 F2 (0.46) CCNCCDK8SCN9AHRH3SLC6A4
SCHEMBL851458 0.82 GPR119 (0.55) CCNCCDK8SCN9APDK1PDK2
SCHEMBL850860 0.82 SIGMAR1 (0.43) SIGMAR1CCNCCDK8SCN9AHRH3
SCHEMBL851247 0.82 F2 (0.46) CCNCCDK8SCN9AHRH3SLC6A4
SCHEMBL850954 0.81 ALDH1A1 (0.47) CCNCCDK8SCN9AHRH3SLC6A4
SCHEMBL851120 0.81 PRKAA2 (0.47) CCNCCDK8PRKAA2KCNA5

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 SIGMAR1 3158/4885CCNC 2619/4885CDK8 2241/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 SIGMAR1 3158/4885CCNC 2619/4885CDK8 2241/4885

“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.