SCHEMBL852146

SCHEMBL852146

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(OCc3ccc(C#N)cc3)cc2OCc2ccc(C#N)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
SMPD1 P17405 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
RAB9A P51151 1/20 0.42
SLC6A5 Q9Y345 2/20 0.42
SGMS2 Q8NHU3 1/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 2/20 0.41
KCNH2 Q12809 1/20 0.40
PRKAA2 P54646 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PTPN1 P18031 1/20 0.40
MET P08581 1/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL851916 0.90 MET (0.49) DRD2ALDH1A1MEN1KMT2ASGMS2
SCHEMBL8511761 0.87 ST14 (0.53) DRD2SMPD1GPR119RAB9ASLC6A5
SCHEMBL851598 0.84 ST14 (0.57) DRD2SMPD1RAB9ASLC6A5PRKAA2
SCHEMBL851057 0.81 ST14 (0.60) DRD2SMPD1RAB9ASLC6A5PRKAA2
SCHEMBL851254 0.80 ST14 (0.52) DRD2RAB9ASLC6A5PRKAA2F2
SCHEMBL852696 0.79 DRD2 (0.47) DRD2SMPD1GPR119RAB9APRKAA2
SCHEMBL851642 0.78 PRKAA2 (0.44) GPR119MAOBKCNH2PRKAA2
SCHEMBL8509916 0.78 ST14 (0.52) DRD2GPR119RAB9ASLC6A5PRKAA2
SCHEMBL851813 0.77 ST14 (0.53) DRD2KCNH2F2PRSS1PRSS2
SCHEMBL851255 0.77 ST14 (0.51) DRD2SLC6A5PRKAA2F2PRSS1

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 DRD2 4749/4885SMPD1 189/4885ALDH1A1 1252/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 DRD2 4749/4885SMPD1 189/4885ALDH1A1 1252/4885

“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.