SCHEMBL850539

SCHEMBL850539

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
GAA P10253 1/20 0.60
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HRH2 P25021 3/20 0.56
HRH1 P35367 3/20 0.56
HRH3 Q9Y5N1 1/20 0.56
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.50
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
SCN9A Q15858 1/20 0.48
KCNA5 P22460 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL851372 0.93 ALDH1A1 (0.55) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL852098 0.87 ALDH1A1 (0.49) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL851821 0.87 GAA (0.52) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL8510132 0.86 ALDH1A1 (0.47) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL850957 0.85 PARP10 (0.63) GAAKMT2APOLBPRSS1PRSS2
SCHEMBL850954 0.85 ALDH1A1 (0.47) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL851458 0.85 GPR119 (0.55) ALDH1A1KMT2AMEN1SCN9AKCNA5
SCHEMBL851129 0.82 PRSS1 (0.69) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL851653 0.82 ST14 (0.74) ALDH1A1KMT2AMEN1SMN1; SMN2HRH2
SCHEMBL851451 0.81 SCN9A (0.63) PRSS1PRSS2PRSS3SCN9AKCNA5

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 ALDH1A1 1252/4885GAA 294/4885KMT2A 3122/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ALDH1A1 1252/4885GAA 294/4885KMT2A 3122/4885

“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.