SCHEMBL851823

SCHEMBL851823

CC(C)(C)OC(=O)NCCCN1CCN(C(=O)c2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
KCNA5 P22460 1/20 0.48
DRD2 P14416 6/20 0.47
SIGMAR1 Q99720 3/20 0.47
SCN9A Q15858 2/20 0.47
CNR2 P34972 1/20 0.45
PRKAA2 P54646 2/20 0.44
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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 0.94 CCNC (0.50) CCNCCDK8KCNA5DRD2SIGMAR1
SCHEMBL851790 0.87 SIGMAR1 (0.47) CCNCCDK8KCNA5SIGMAR1SCN9A
SCHEMBL851830 0.85 ST14 (0.54) CCNCCDK8DRD2SCN9APRKAA2
SCHEMBL851914 0.84 PRSS1 (0.50) CCNCCDK8DRD2SCN9APRKAA2
SCHEMBL851120 0.83 PRKAA2 (0.47) CCNCCDK8KCNA5PRKAA2
SCHEMBL852002 0.80 F2 (0.46) CCNCCDK8DRD2SCN9APRKAA2
SCHEMBL851458 0.80 GPR119 (0.55) CCNCCDK8KCNA5SCN9ACYP11B2
SCHEMBL851247 0.80 F2 (0.46) CCNCCDK8DRD2SCN9APRKAA2
SCHEMBL1714545 0.80 DRD2 (0.56) DRD2HRH2HRH1HRH3
SCHEMBL850954 0.80 ALDH1A1 (0.47) CCNCCDK8SCN9APRKAA2HRH2

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 CCNC 2619/4885CDK8 2241/4885KCNA5 2664/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 CCNC 2619/4885CDK8 2241/4885KCNA5 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.