SCHEMBL852696

SCHEMBL852696

CC(C)(C)OC(=O)NC1CCC(C(=O)Nc2cc(OCc3ccc(C#N)cc3)cc(OCc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
GPR119 Q8TDV5 1/20 0.43
F10 P00742 10/20 0.42
RAB9A P51151 1/20 0.41
RORC P51449 1/20 0.41
PRKAA2 P54646 1/20 0.40
EGLN2 Q96KS0 2/20 0.40
UBE2N P61088 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
SMPD1 P17405 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
SCHEMBL851430 0.90 RORC (0.46) DRD2F10RORCF2PRSS1
SCHEMBL8509807 0.87 DRD2 (0.47) DRD2GPR119RAB9AEGLN2F2
SCHEMBL851416 0.87 DRD2 (0.47) DRD2GPR119RAB9AEGLN2F2
SCHEMBL8509771 0.87 DRD2 (0.47) DRD2GPR119RAB9AEGLN2F2
SCHEMBL8511761 0.86 ST14 (0.53) DRD2GPR119RAB9APRKAA2F2
SCHEMBL852070 0.85 ST14 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL860729 0.84 DRD2 (0.45) DRD2GPR119RAB9AEGLN2UBE2N
SCHEMBL8510724 0.84 DRD2 (0.45) DRD2GPR119RAB9AEGLN2UBE2N
SCHEMBL851938 0.84 ST14 (0.44) F10F2PRSS1PRSS2PRSS3
SCHEMBL851778 0.83 EGLN2 (0.52) GPR119RAB9AEGLN2SMPD1

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 4749/4885GPR119 3130/4885F10 152/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 DRD2 4749/4885GPR119 3130/4885F10 152/4885

“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.