SCHEMBL851458

SCHEMBL851458

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.55
SCN9A Q15858 4/20 0.50
S1PR2 O95136 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
EGLN2 Q96KS0 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
KCNA5 P22460 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
CYP11B2 P19099 1/20 0.44
SCN7A Q01118 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL2208835 0.86 MEN1 (0.64) GPR119MEN1KMT2APDK1PDK2
SCHEMBL28088874 0.85 GPR119 (0.62) GPR119SCN9AMEN1KMT2AEGLN2
SCHEMBL851550 0.85 HRH3 (0.52) GPR119MEN1KMT2AEGLN2CCNC
SCHEMBL850539 0.85 ALDH1A1 (0.63) SCN9AMEN1KMT2AKCNA5ALDH1A1
SCHEMBL8510132 0.83 ALDH1A1 (0.47) GPR119SCN9AMEN1KMT2ACCNC
SCHEMBL13872055 0.82 KMT2A (0.68) S1PR2MEN1KMT2AALDH1A1
SCHEMBL850954 0.82 ALDH1A1 (0.47) GPR119SCN9AMEN1KMT2ACCNC
SCHEMBL851673 0.82 GPR119 (0.57) GPR119S1PR2ALDH1A1
SCHEMBL851414 0.82 CCNC (0.50) SCN9AKMT2APDK1PDK2PDK3
SCHEMBL851790 0.82 SIGMAR1 (0.47) SCN9APDK1PDK2PDK3PDK4

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 GPR119 3130/4885SCN9A 1907/4885S1PR2 3001/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 GPR119 3130/4885SCN9A 1907/4885S1PR2 3001/4885

“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.