SCHEMBL8278529

SCHEMBL8278529

CC(=O)C1CC2c3ccccc3NC2N1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 8/20 0.36
▸ MTNR1B P49286 8/20 0.36
▸ MMP9 P14780 1/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HSPA1A P0DMV8 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TDO2 P48775 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32

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
SCHEMBL15100531 0.85 MTNR1A (0.37) MTNR1AMTNR1BMMP9
SCHEMBL8279275 0.81 ADORA3 (0.39) ALDH1A1
SCHEMBL8279270 0.81 ADORA3 (0.32) —
SCHEMBL8290137 0.80 TNKS2 (0.33) —
SCHEMBL8279360 0.79 ADORA3 (0.39) ALDH1A1
SCHEMBL21585759 0.75 ALDH1A1 (0.40) MMP9IDO1ADRA2AADRA2BADRA2C
SCHEMBL13016968 0.74 MTNR1A (0.35) MTNR1AMTNR1BMMP9IDO1ADRA2A
SCHEMBL12416262 0.73 MMP9 (0.32) MTNR1AMTNR1BMMP9IDO1ADRA2A
SCHEMBL12507314 0.73 MMP9 (0.36) MTNR1AMTNR1BMMP9ADRA2AADRA2B
SCHEMBL14116374 0.72 ADRA2A (0.41) MMP9ADRA2AADRA2BADRA2CTDP1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 — — US disclosed
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-30 — — US disclosed
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-30 — — US disclosed
US-8536136-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-17 — — US disclosed
US-8536136-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-17 — — US disclosed
US-20130177531-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-11 — — US disclosed
EP-1692157-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMA (US) 2013-04-17 — — EP disclosed
EP-2468744-A2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-27 — — EP disclosed
US-8039623-B2 Peptidomimetics compound; viricides; interference in life cycle og hepatitis c virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 — — US disclosed
US-8039623-B2 Peptidomimetics compound; viricides; interference in life cycle og hepatitis c virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 — — US disclosed
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease PITLIK JANOS 2007-12-20 — — US disclosed
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease PITLIK JANOS 2007-12-20 — — US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 — — US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 — — US disclosed
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2007-07-12 — — US disclosed
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2007-07-12 — — US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 — — US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 — — US disclosed
WO-2005077969-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-08-25 — — WO disclosed
WO-2005037860-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCOPORATED (US) 2005-04-28 — — 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 (5 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-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 MTNR1A 3959/4885MTNR1B 4117/4885MMP9 959/4885
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 MTNR1A 3339/4885MTNR1B 3185/4885MMP9 124/4885
US-20130177531-A1 Inhibitors of Serine Proteases PRSS1, SERPINB1, PRSS3 MTNR1A 3339/4885MTNR1B 3185/4885MMP9 124/4885
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 MTNR1A 3975/4885MTNR1B 3997/4885MMP9 422/4885
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 MTNR1A 3975/4885MTNR1B 3997/4885MMP9 422/4885

“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.

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