SCHEMBL851642

SCHEMBL851642

CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2ccc(OCc3ccc(C#N)cc3)cc2OCc2ccc(C#N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.44
GPR119 Q8TDV5 2/20 0.44
YAP1 P46937 4/20 0.42
SCN7A Q01118 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHRM4 P08173 3/20 0.42
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
PREP P48147 1/20 0.39
OXTR P30559 1/20 0.39
MMP1 P03956 1/20 0.39
ADAM17 P78536 1/20 0.39
PRKAB2 O43741 1/20 0.39
CYP3A4 P08684 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
SCHEMBL851587 0.91 MET (0.45) YAP1KCNH2CHRM4MMP1ADAM17
SCHEMBL851136 0.88 PRKAA2 (0.47) PRKAA2GPR119YAP1CHRM4MAOA
SCHEMBL851681 0.86 PRKAA2 (0.45) PRKAA2GPR119YAP1SCN7AKCNH2
SCHEMBL851914 0.80 PRSS1 (0.50) PRKAA2GPR119CHRM4MAOAACHE
SCHEMBL851102 0.80 F2 (0.42) PRKAA2YAP1KCNH2CHRM4CCNC
SCHEMBL852002 0.80 F2 (0.46) PRKAA2GPR119CHRM4MAOAACHE
SCHEMBL851247 0.79 F2 (0.46) PRKAA2GPR119CHRM4MAOAACHE
SCHEMBL851266 0.79 CHRM4 (0.44) PRKAA2YAP1CHRM4CCNCCDK8
SCHEMBL851402 0.79 F10 (0.53) PRKAA2GPR119CHRM4CCNCCDK8
SCHEMBL852146 0.78 DRD2 (0.45) PRKAA2GPR119KCNH2MAOB

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 PRKAA2 4478/4885GPR119 3130/4885YAP1 4742/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PRKAA2 4478/4885GPR119 3130/4885YAP1 4742/4885

“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.