SCHEMBL8290843

SCHEMBL8290843

CC(=O)C1CC(OCc2cccc3ccccc23)CN1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
EPHX1 P07099 1/20 0.40
P2RX7 Q99572 1/20 0.40
ATM Q13315 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
PARP10 Q53GL7 1/20 0.38
SSTR4 P31391 1/20 0.38
SSTR5 P35346 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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 0.80 AGTR2 (0.46) HRH3ALDH1A1
SCHEMBL8290842 0.80 AGTR2 (0.46) HRH3ALDH1A1
SCHEMBL14597374 0.80 AGTR2 (0.46) HRH3ALDH1A1
SCHEMBL8279087 0.79 MEN1 (0.42) KMT2AMEN1HRH3TDP1KDM4E
SCHEMBL8290844 0.79 SLC6A2 (0.48) HRH3
SCHEMBL3346899 0.75 UCHL1 (0.42)
SCHEMBL3346894 0.75 UCHL1 (0.42)
SCHEMBL3346893 0.75 UCHL1 (0.42)
SCHEMBL10076930 0.73 HCRTR2 (0.47) SSTR4
SCHEMBL28203575 0.71 EPHX1 (0.48) KMT2AMEN1EPHX1PARP10TDP1

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 KMT2A 2481/4885MEN1 3966/4885EPHX1 1251/4885

“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.