SCHEMBL851550

SCHEMBL851550

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Oc3ccc(C#N)cn3)cc(Oc3ccc(C#N)cn3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
GPR119 Q8TDV5 10/20 0.48
EGLN2 Q96KS0 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
KCNH2 Q12809 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL851458 0.85 GPR119 (0.55) GPR119EGLN2CCNCCDK8KCNH2
SCHEMBL851888 0.83 HRH3 (0.54) HRH3EGLN2KCNH2
SCHEMBL31615907 0.80 GPR119 (0.53) GPR119EGLN2
SCHEMBL2208835 0.79 MEN1 (0.64) GPR119EGLN2CCNCCDK8MEN1
SCHEMBL27380506 0.77 GPR119 (0.48) HRH3GPR119EGLN2IRAK4
SCHEMBL2776233 0.77 GPR119 (0.66) GPR119IRAK4
SCHEMBL27381531 0.76 HRH1 (0.53) HRH3GPR119EGLN2
SCHEMBL3554489 0.76 PANK3 (0.63) GPR119EGLN2
SCHEMBL30546362 0.76 PANK3 (0.63) GPR119EGLN2
SCHEMBL850901 0.75 GPR119 (0.49) GPR119EGLN2CCNCCDK8KCNH2

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 HRH3 2164/4885GPR119 3130/4885EGLN2 813/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 HRH3 2164/4885GPR119 3130/4885EGLN2 813/4885

“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.