SCHEMBL8290844

SCHEMBL8290844

CC(=O)C1CC(OCc2ccc3ccccc3c2)CN1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48
HTR3A P46098 1/20 0.48
HTR4 Q13639 1/20 0.48
KCNH2 Q12809 2/20 0.46
BDKRB2 P30411 2/20 0.46
MC4R P32245 4/20 0.45
MC3R P41968 4/20 0.45
MC1R Q01726 4/20 0.45
ALOX5 P09917 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL9969601 0.85 AGTR2 (0.46) BDKRB2HRH3
SCHEMBL14597374 0.85 AGTR2 (0.46) BDKRB2HRH3
SCHEMBL8290842 0.85 AGTR2 (0.46) BDKRB2HRH3
SCHEMBL8278753 0.80 HRH3 (0.40) HRH3
SCHEMBL8290843 0.79 KMT2A (0.41) HRH3
SCHEMBL7807374 0.77 BDKRB2 (0.45) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL8278740 0.77 HRH3 (0.44) HTR3AHRH3
SCHEMBL23942920 0.76 AGTR2 (0.53) BDKRB2HRH3
SCHEMBL26207194 0.76 AGTR2 (0.53) BDKRB2HRH3
SCHEMBL6380857 0.75 BDKRB2 (0.48) SLC6A2SLC6A4SLC6A3HTR2AHTR2C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692157-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMA (US) 2013-04-17 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
EP-2361925-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-31 EP 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-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 (1 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-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 SLC6A2 1278/4885SLC6A4 736/4885SLC6A3 1197/4885

“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.